N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H20N4O2 — CID 95976349

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(=O)[nH]1
InChIInChI=1S/C18H20N4O2/c1-10(2)15(16-20-13-6-4-5-7-14(13)21-16)22-18(24)12-9-8-11(3)19-17(12)23/h4-10,15H,1-3H3,(H,19,23)(H,20,21)(H,22,24)/t15-/m0/s1
InChIKeyYNDLSLMVQUFORW-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976349) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976349
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(=O)[nH]1
InChIInChI=1S/C18H20N4O2/c1-10(2)15(16-20-13-6-4-5-7-14(13)21-16)22-18(24)12-9-8-11(3)19-17(12)23/h4-10,15H,1-3H3,(H,19,23)(H,20,21)(H,22,24)/t15-/m0/s1
InChIKeyYNDLSLMVQUFORW-HNNXBMFYSA-N
XLogP2.69
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 75490402
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95976349) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YNDLSLMVQUFORW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10(2)15(16-20-13-6-4-5-7-14(13)21-16)22-18(24)12-9-8-11(3)19-17(12)23/h4-10,15H,1-3H3,(H,19,23)(H,20,21)(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).