5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide

C26H26ClN3O3 — CID 156753087

IUPAC5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C26H26ClN3O3/c1-16-9-10-18(25(32)29-22-7-2-3-8-24(22)31)13-23(16)30-26(33)20-11-19(14-28-15-20)17-5-4-6-21(27)12-17/h4-6,9-15,22,24,31H,2-3,7-8H2,1H3,(H,29,32)(H,30,33)/t22-,24-/m0/s1
InChIKeyZSWVYIRBDQZTPP-UPVQGACJSA-N
MW463.97 g/mol
LogP5.00
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide

5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 156753087) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID156753087
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C26H26ClN3O3/c1-16-9-10-18(25(32)29-22-7-2-3-8-24(22)31)13-23(16)30-26(33)20-11-19(14-28-15-20)17-5-4-6-21(27)12-17/h4-6,9-15,22,24,31H,2-3,7-8H2,1H3,(H,29,32)(H,30,33)/t22-,24-/m0/s1
InChIKeyZSWVYIRBDQZTPP-UPVQGACJSA-N
XLogP5.00
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide 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

3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide
CID 156753141
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
CID 156753007
3-[(2-chloropyrimidin-5-yl)methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753165
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide (CID 156753087) is 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cncc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is ZSWVYIRBDQZTPP-UPVQGACJSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-16-9-10-18(25(32)29-22-7-2-3-8-24(22)31)13-23(16)30-26(33)20-11-19(14-28-15-20)17-5-4-6-21(27)12-17/h4-6,9-15,22,24,31H,2-3,7-8H2,1H3,(H,29,32)(H,30,33)/t22-,24-/m0/s1.
What are the key properties of 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 156753087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).