5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid

C54H48N8O8 — CID 157200883

IUPAC5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C(=O)O)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/2C27H24N4O4/c1-17-2-5-21(13-24(17)30-25(32)22-12-23(27(34)35)16-29-15-22)26(33)31-10-8-20(9-11-31)19-6-3-18(14-28)4-7-19;1-17-2-5-21(14-24(17)30-25(32)22-8-9-23(27(34)35)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-28)4-7-19/h2-7,12-13,15-16,20H,8-11H2,1H3,(H,30,32)(H,34,35);2-9,14,16,20H,10-13H2,1H3,(H,30,32)(H,34,35)
InChIKeyAQTYOHHCZWWNSO-UHFFFAOYSA-N
MW937.03 g/mol
LogP8.46
Rot. Bonds10

About 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid

5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 157200883) has the molecular formula C54H48N8O8 and a molecular weight of 937.03 g/mol. Its IUPAC name is 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID157200883
Molecular FormulaC54H48N8O8
Molecular Weight937.03 g/mol
Exact Mass936.36
IUPAC Name5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C(=O)O)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/2C27H24N4O4/c1-17-2-5-21(13-24(17)30-25(32)22-12-23(27(34)35)16-29-15-22)26(33)31-10-8-20(9-11-31)19-6-3-18(14-28)4-7-19;1-17-2-5-21(14-24(17)30-25(32)22-8-9-23(27(34)35)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-28)4-7-19/h2-7,12-13,15-16,20H,8-11H2,1H3,(H,30,32)(H,34,35);2-9,14,16,20H,10-13H2,1H3,(H,30,32)(H,34,35)
InChIKeyAQTYOHHCZWWNSO-UHFFFAOYSA-N
XLogP8.46
TPSA246.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.03
LogP ≤ 58.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid 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

5-[[5-[4-(4-Cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 69165962
5-[[5-[4-(4-Cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid
CID 69167668
Methyl 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylate
CID 69167689
5-[4-[[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-phenylquinolin-3-yl]methyl]piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 69452896
[5-[[5-[4-(4-Cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carbonyl] 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylate
CID 87719934
5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
CID 87727839
N-[2-chloro-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]butanamide;ethyl 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylate;methyl 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylate
CID 87727897
5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
CID 158036385
2-[4-(dimethylamino)phenyl]-N-(2-methylpropyl)-N-propan-2-ylacetamide;2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-N-propan-2-ylacetamide;(E)-3-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]prop-2-enoic acid;2-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid;2-[4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]phenyl]acetic acid;N-(2-methylpropyl)-N-propan-2-yl-2-pyridin-2-ylacetamide;N-(2-methylpropyl)-N-propan-2-yl-3-pyridin-3-ylpropanamide;(E)-N-(2-methylpropyl)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide;N-(2-methylpropyl)-N-propan-2-yl-2-pyrrolidin-2-ylacetamide
CID 158464503
nicotinoyl-4Abz-OH.isonicotinoyl-3Abz-OH.nicotinoyl-3Abz-OH.isonicotinoyl-2Abz-OH.nicotinoyl-2Abz-OH.picolinoyl-2Abz-OH
CID 158476762
5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
CID 158831517
Tert-butyl 4-[(4-cyanophenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-cyanophenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;5-pentylpyridine-2-carboxylic acid
CID 158834300

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid (CID 157200883) is 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C(=O)O)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is AQTYOHHCZWWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N4O4/c1-17-2-5-21(13-24(17)30-25(32)22-12-23(27(34)35)16-29-15-22)26(33)31-10-8-20(9-11-31)19-6-3-18(14-28)4-7-19;1-17-2-5-21(14-24(17)30-25(32)22-8-9-23(27(34)35)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-28)4-7-19/h2-7,12-13,15-16,20H,8-11H2,1H3,(H,30,32)(H,34,35);2-9,14,16,20H,10-13H2,1H3,(H,30,32)(H,34,35).
What are the key properties of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid?
5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 937.03 g/mol, XLogP of 8.46, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157200883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).