6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide

C82H68Cl8N10O6 — CID 160757505

IUPAC6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESCN(C)Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.CN(C)c1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1.O=C(O)c1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1
InChIInChI=1S/C22H21Cl2N3O.C21H19Cl2N3O.C20H14Cl2N2O3.C19H14Cl2N2O/c1-27(2)14-15-8-11-20(25-13-15)21(16-6-4-3-5-7-16)26-22(28)17-9-10-18(23)19(24)12-17;1-26(2)16-9-11-19(24-13-16)20(14-6-4-3-5-7-14)25-21(27)15-8-10-17(22)18(23)12-15;21-15-8-6-13(10-16(15)22)19(25)24-18(12-4-2-1-3-5-12)17-9-7-14(11-23-17)20(26)27;20-15-10-9-14(12-16(15)21)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h3-13,21H,14H2,1-2H3,(H,26,28);3-13,20H,1-2H3,(H,25,27);1-11,18H,(H,24,25)(H,26,27);1-12,18H,(H,23,24)/t21-;20-;2*18-/m0000/s1
InChIKeyRXPXJHQOZNCZNX-XZBVVODMSA-N
MW1573.13 g/mol
LogP19.46
Rot. Bonds20

About 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide

6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 160757505) has the molecular formula C82H68Cl8N10O6 and a molecular weight of 1573.13 g/mol. Its IUPAC name is 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID160757505
Molecular FormulaC82H68Cl8N10O6
Molecular Weight1573.13 g/mol
Exact Mass1568.28
IUPAC Name6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESCN(C)Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.CN(C)c1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1.O=C(O)c1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1
InChIInChI=1S/C22H21Cl2N3O.C21H19Cl2N3O.C20H14Cl2N2O3.C19H14Cl2N2O/c1-27(2)14-15-8-11-20(25-13-15)21(16-6-4-3-5-7-16)26-22(28)17-9-10-18(23)19(24)12-17;1-26(2)16-9-11-19(24-13-16)20(14-6-4-3-5-7-14)25-21(27)15-8-10-17(22)18(23)12-15;21-15-8-6-13(10-16(15)22)19(25)24-18(12-4-2-1-3-5-12)17-9-7-14(11-23-17)20(26)27;20-15-10-9-14(12-16(15)21)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h3-13,21H,14H2,1-2H3,(H,26,28);3-13,20H,1-2H3,(H,25,27);1-11,18H,(H,24,25)(H,26,27);1-12,18H,(H,23,24)/t21-;20-;2*18-/m0000/s1
InChIKeyRXPXJHQOZNCZNX-XZBVVODMSA-N
XLogP19.46
TPSA211.74 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.13
LogP ≤ 519.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide with MolForge

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Related Compounds

6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid
CID 130289282
6-(6-Chloro-3-pyridinyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,7-naphthyridine-3-carboxylic acid
CID 141277007
6-[[[(2R)-2-[[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]amino]-2-phenylethyl]amino]methyl]pyridine-3-carboxylic acid
CID 143378887
3-tert-butylaniline;(2R,3S)-N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-chloropyridine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-phenylpiperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-phenylpyridine-3-carboxamide;6-chloro-4-methylpyridine-3-carboxylic acid;2-chloropyridine-3-carbonyl chloride
CID 157230949
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-bromopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyridine;5-(4-bromophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-bromo-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-(4-chlorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-isocyano-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methyl N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]methanimidate;5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;6-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-amine;6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide;6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxylic acid
CID 157663010
aniline;2-chloro-N-methyl-N-phenylpyridine-3-carboxamide;2-chloro-N-phenylpyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride;2-chloropyridine-3-carboxylic acid;ethane;6-methylbenzo[h][1,6]naphthyridin-5-one;1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;6-methyl-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
CID 158032906
3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2S)-2-hydroxy-2-[6-(hydroxymethyl)-3-pyridinyl]propyl]piperazin-1-yl]-N,N-dimethylbenzamide;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2S)-2-hydroxy-2-[6-(hydroxymethyl)-3-pyridinyl]propyl]piperazin-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;1-[3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2S)-2-hydroxy-2-[6-(hydroxymethyl)-3-pyridinyl]propyl]piperazin-1-yl]phenyl]propan-1-one;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2S)-2-hydroxy-2-[6-(hydroxymethyl)-3-pyridinyl]propyl]piperazin-1-yl]-N-propylbenzamide
CID 158205296
3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(fluoromethyl)-2-pyridinyl]methyl]benzamide;3-chloro-4-cyano-N-[(3,4-dichlorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]benzamide;N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;methyl 2-chloro-4-[[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]carbamoyl]benzoate
CID 158474029
2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
CID 158474729
3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2R)-2-hydroxy-2-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]propyl]piperazin-1-yl]benzonitrile;6-[(2R)-1-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropan-2-yl]pyridine-3-carboxylic acid;pyrrolidine;hydrochloride
CID 158629591
[4-[(3S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-quinolin-3-ylmethanone;bis([(3S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-3-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl acetate)
CID 158792424
2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
CID 159063898

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide (CID 160757505) is 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide is CN(C)Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.CN(C)c1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1.O=C(O)c1ccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)nc1.
What is the InChIKey of 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is RXPXJHQOZNCZNX-XZBVVODMSA-N. The full InChI is InChI=1S/C22H21Cl2N3O.C21H19Cl2N3O.C20H14Cl2N2O3.C19H14Cl2N2O/c1-27(2)14-15-8-11-20(25-13-15)21(16-6-4-3-5-7-16)26-22(28)17-9-10-18(23)19(24)12-17;1-26(2)16-9-11-19(24-13-16)20(14-6-4-3-5-7-14)25-21(27)15-8-10-17(22)18(23)12-15;21-15-8-6-13(10-16(15)22)19(25)24-18(12-4-2-1-3-5-12)17-9-7-14(11-23-17)20(26)27;20-15-10-9-14(12-16(15)21)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h3-13,21H,14H2,1-2H3,(H,26,28);3-13,20H,1-2H3,(H,25,27);1-11,18H,(H,24,25)(H,26,27);1-12,18H,(H,23,24)/t21-;20-;2*18-/m0000/s1.
What are the key properties of 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 1573.13 g/mol, XLogP of 19.46, 20 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 160757505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).