N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide

C19H19ClN4O — CID 86638539

IUPACN-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cl)nc1
InChIInChI=1S/C19H19ClN4O/c20-17-9-8-13(11-21-17)19(25)22-14-5-3-4-12(10-14)18-23-15-6-1-2-7-16(15)24-18/h1-2,6-9,11-12,14H,3-5,10H2,(H,22,25)(H,23,24)/t12-,14+/m0/s1
InChIKeyNIJMWODYNQOHPH-GXTWGEPZSA-N
MW354.84 g/mol
LogP4.07
Rot. Bonds3

About N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide

N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide (PubChem CID 86638539) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
PubChem CID86638539
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cl)nc1
InChIInChI=1S/C19H19ClN4O/c20-17-9-8-13(11-21-17)19(25)22-14-5-3-4-12(10-14)18-23-15-6-1-2-7-16(15)24-18/h1-2,6-9,11-12,14H,3-5,10H2,(H,22,25)(H,23,24)/t12-,14+/m0/s1
InChIKeyNIJMWODYNQOHPH-GXTWGEPZSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-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

N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
1-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(2,4-dichlorophenyl)urea
CID 59175073
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 59174995
N-[(1R)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;2,3-dihydroxybutanedioic acid
CID 157284577
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide (CID 86638539) is N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide is O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cl)nc1.
What is the InChIKey of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide?
The InChIKey is NIJMWODYNQOHPH-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-17-9-8-13(11-21-17)19(25)22-14-5-3-4-12(10-14)18-23-15-6-1-2-7-16(15)24-18/h1-2,6-9,11-12,14H,3-5,10H2,(H,22,25)(H,23,24)/t12-,14+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide?
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 86638539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).