59374314
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255
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13.2583
8.9282
8.0622
10.6603
8.9282
4.5981
3.732
12.3923
12.3923
11.5263
11.5263
10.6603
9.7942
9.7942
14.1244
8.9282
10.6603
10.6603
9.7942
7.1962
6.3301
7.1962
5.4641
5.4641
6.3301
3.732
2.866
2
2.866
2
12.3923
13.0029
12.6044
11.9248
11.1278
11.1278
11.9248
10.4482
10.0497
14.4344
14.6613
13.8144
11.1972
11.1972
9.7942
6.3301
7.7331
4.9272
6.3301
4.5981
2.866
1.4631
2.866
1.4631
0.81
1.31
-0.19
1.31
-1.69
-2.19
-0.69
1.31
2.31
2.81
0.81
2.31
0.81
-0.19
1.31
-0.69
-0.69
-1.69
-2.19
-0.69
-0.19
-1.69
-1.69
-0.69
-2.19
-1.69
-2.19
-1.69
-0.19
-0.69
0.69
2.2023
2.8926
3.285
3.285
0.3351
0.3351
2.8926
2.2023
0.7731
1.62
1.8469
-0.38
-2
-2.81
0.43
-2
-0.38
-2.81
-2.81
-2.81
-2
0.43
-0.38
8
8
8
8
3
8
8
8
8
8
8
8
8
8
8
8
8
8
8
5
5
7
7
8
14
14
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29
16
19
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29
1
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30
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
541
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000000000000003C58B100000000000001F000001E00100000000C1CE19A063FF693C81400A8023777740082882935222009D8213E6CD88E26FEC4FD9B8F39E8EEF613D8E9E7B851000C00400000000000000080000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(3-methoxy-1-piperidyl)-[2-[4-(2-pyridylamino)phenoxy]-3-pyridyl]methanone
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(3-methoxy-1-piperidinyl)-[2-[4-(2-pyridinylamino)phenoxy]-3-pyridinyl]methanone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(3-methoxypiperidino)-[2-[4-(2-pyridylamino)phenoxy]-3-pyridyl]methanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C23H24N4O3/c1-29-19-6-5-15-27(16-19)23(28)20-7-4-14-25-22(20)30-18-11-9-17(10-12-18)26-21-8-2-3-13-24-21/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
VBMBLEBVOTXJTF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
404.184841
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C23H24N4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
404.46166
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1CCCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1CCCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
76.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
404.184841
30
1
0
1
0
0
0
0
1
2