6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide

C17H15ClN4O — CID 60613227

IUPAC6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN4O/c18-15-7-4-11(9-19-15)17(23)20-12-5-6-13-14(8-12)22-16(21-13)10-2-1-3-10/h4-10H,1-3H2,(H,20,23)(H,21,22)
InChIKeyVFIRRLIOCMPCNY-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.13
Rot. Bonds3

About 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide

6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide (PubChem CID 60613227) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
PubChem CID60613227
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN4O/c18-15-7-4-11(9-19-15)17(23)20-12-5-6-13-14(8-12)22-16(21-13)10-2-1-3-10/h4-10H,1-3H2,(H,20,23)(H,21,22)
InChIKeyVFIRRLIOCMPCNY-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
CID 119183366
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-[5-(6-bromo-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloropyridine-3-carboxamide
CID 163228322
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 154834472
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide (CID 60613227) is 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
The InChIKey is VFIRRLIOCMPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-15-7-4-11(9-19-15)17(23)20-12-5-6-13-14(8-12)22-16(21-13)10-2-1-3-10/h4-10H,1-3H2,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60613227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).