6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide

C19H22N4O2 — CID 97332340

IUPAC6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide
SMILESCC(C)C[C@H](O)CNC(=O)c1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C19H22N4O2/c1-13(2)9-15(24)11-21-19(25)14-7-8-18(20-10-14)23-12-22-16-5-3-4-6-17(16)23/h3-8,10,12-13,15,24H,9,11H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyNFGWBAHHVFIPTG-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.56
Rot. Bonds6

About 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide

6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide (PubChem CID 97332340) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide
PubChem CID97332340
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide
SMILESCC(C)C[C@H](O)CNC(=O)c1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C19H22N4O2/c1-13(2)9-15(24)11-21-19(25)14-7-8-18(20-10-14)23-12-22-16-5-3-4-6-17(16)23/h3-8,10,12-13,15,24H,9,11H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyNFGWBAHHVFIPTG-HNNXBMFYSA-N
XLogP2.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 75396855
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide
CID 75397441
4-[6-(benzimidazol-1-yl)pyridine-3-carbonyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 155947482
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
CID 49046064
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
CID 154805885
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide (CID 97332340) is 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide is CC(C)C[C@H](O)CNC(=O)c1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide?
The InChIKey is NFGWBAHHVFIPTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)9-15(24)11-21-19(25)14-7-8-18(20-10-14)23-12-22-16-5-3-4-6-17(16)23/h3-8,10,12-13,15,24H,9,11H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide?
6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide is sourced from PubChem (CID 97332340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).