5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine

C60H64N10O5 — CID 160991540

IUPAC5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)Nc1ccc(N2CCCC2)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)O.Nc1ccc(C2CCCN2)nc1
InChIInChI=1S/C30H31N5O2.C21H20N2O3.C9H13N3/c1-21-4-7-25(30(37)35-16-12-24(13-17-35)23-8-5-22(19-31)6-9-23)18-27(21)29(36)33-26-10-11-28(32-20-26)34-14-2-3-15-34;1-14-2-5-18(12-19(14)21(25)26)20(24)23-10-8-17(9-11-23)16-6-3-15(13-22)4-7-16;10-7-3-4-9(12-6-7)8-2-1-5-11-8/h4-11,18,20,24H,2-3,12-17H2,1H3,(H,33,36);2-7,12,17H,8-11H2,1H3,(H,25,26);3-4,6,8,11H,1-2,5,10H2
InChIKeyTURQGPFWYKFNBT-UHFFFAOYSA-N
MW1005.24 g/mol
LogP9.81
Rot. Bonds9

About 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine

5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine (PubChem CID 160991540) has the molecular formula C60H64N10O5 and a molecular weight of 1005.24 g/mol. Its IUPAC name is 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine
PubChem CID160991540
Molecular FormulaC60H64N10O5
Molecular Weight1005.24 g/mol
Exact Mass1004.51
IUPAC Name5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)Nc1ccc(N2CCCC2)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)O.Nc1ccc(C2CCCN2)nc1
InChIInChI=1S/C30H31N5O2.C21H20N2O3.C9H13N3/c1-21-4-7-25(30(37)35-16-12-24(13-17-35)23-8-5-22(19-31)6-9-23)18-27(21)29(36)33-26-10-11-28(32-20-26)34-14-2-3-15-34;1-14-2-5-18(12-19(14)21(25)26)20(24)23-10-8-17(9-11-23)16-6-3-15(13-22)4-7-16;10-7-3-4-9(12-6-7)8-2-1-5-11-8/h4-11,18,20,24H,2-3,12-17H2,1H3,(H,33,36);2-7,12,17H,8-11H2,1H3,(H,25,26);3-4,6,8,11H,1-2,5,10H2
InChIKeyTURQGPFWYKFNBT-UHFFFAOYSA-N
XLogP9.81
TPSA221.67 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.24
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-cyclopropyl-6-[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile;2,4-dimethylbenzoic acid;2,2,2-trifluoroacetic acid
CID 89778660
2-[6-[[(1S,3S)-3-[[5-[2-[1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-5-fluoro-3-pyridinyl]-2-oxo-3-pyridinyl]cyclopropyl]pyrimidin-2-yl]amino]cyclopentyl]amino]-3-pyridinyl]-1-oxoisoquinoline-5-carboxylic acid
CID 155114687
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-(1-cyanocyclopropyl)-4-[3-[4-[(1-cyanocyclopropyl)carbamoyl]-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
CID 157582122
N-(1-cyanocyclopropyl)-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 158138101
4-(3,3-difluorocyclobutyl)-5-(5-ethyl-1H-imidazol-2-yl)-2-methylbenzoic acid;4-[1-[4-(3,3-difluorocyclobutyl)-5-(5-ethyl-1H-imidazol-2-yl)-2-methylbenzoyl]piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 158146017
6-(3,5-Dimethylpiperazin-1-yl)pyridine-3-carbonitrile;6-[3,5-dimethyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile;3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 158254384
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-ethyl-4-[3-[4-(ethylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
CID 158886085
3-(5-Cyano-6-piperidin-1-yl-3-pyridinyl)-4-methylbenzoic acid;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile
CID 159158558
N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 160327795
N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
CID 161343703
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 161486930
N-ethyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 161643217

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine?
The IUPAC name of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine (CID 160991540) is 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine?
The canonical SMILES for 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)Nc1ccc(N2CCCC2)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)O.Nc1ccc(C2CCCN2)nc1.
What is the InChIKey of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine?
The InChIKey is TURQGPFWYKFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.C21H20N2O3.C9H13N3/c1-21-4-7-25(30(37)35-16-12-24(13-17-35)23-8-5-22(19-31)6-9-23)18-27(21)29(36)33-26-10-11-28(32-20-26)34-14-2-3-15-34;1-14-2-5-18(12-19(14)21(25)26)20(24)23-10-8-17(9-11-23)16-6-3-15(13-22)4-7-16;10-7-3-4-9(12-6-7)8-2-1-5-11-8/h4-11,18,20,24H,2-3,12-17H2,1H3,(H,33,36);2-7,12,17H,8-11H2,1H3,(H,25,26);3-4,6,8,11H,1-2,5,10H2.
What are the key properties of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine?
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine has a molecular weight of 1005.24 g/mol, XLogP of 9.81, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoic acid;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide;6-pyrrolidin-2-ylpyridin-3-amine is sourced from PubChem (CID 160991540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).