N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide

C18H20N4O — CID 95192585

IUPACN-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCc1ccc2nc([C@H](NC(=O)c3ccncc3)C(C)C)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-11(2)16(22-18(23)13-6-8-19-9-7-13)17-20-14-5-4-12(3)10-15(14)21-17/h4-11,16H,1-3H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyOCZWHEQQHUPFMB-MRXNPFEDSA-N
MW308.38 g/mol
LogP3.39
Rot. Bonds4

About N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide

N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide (PubChem CID 95192585) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
PubChem CID95192585
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCc1ccc2nc([C@H](NC(=O)c3ccncc3)C(C)C)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-11(2)16(22-18(23)13-6-8-19-9-7-13)17-20-14-5-4-12(3)10-15(14)21-17/h4-11,16H,1-3H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyOCZWHEQQHUPFMB-MRXNPFEDSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 118778051
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
CID 126448321
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42513114
2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 56561244

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide (CID 95192585) is N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide is Cc1ccc2nc([C@H](NC(=O)c3ccncc3)C(C)C)[nH]c2c1.
What is the InChIKey of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide?
The InChIKey is OCZWHEQQHUPFMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11(2)16(22-18(23)13-6-8-19-9-7-13)17-20-14-5-4-12(3)10-15(14)21-17/h4-11,16H,1-3H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide?
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 95192585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).