5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide

C21H22N4O3 — CID 158748068

IUPAC5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3[nH]c(C)nc23)c1=O
InChIInChI=1S/C21H22N4O3/c1-12-23-17-5-3-4-14(19(17)24-12)10-25-11-15(18(26)8-13-6-7-13)9-16(21(25)28)20(27)22-2/h3-5,9,11,13H,6-8,10H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyINCWORGQFUKLTD-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.42
Rot. Bonds6

About 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide

5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 158748068) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID158748068
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3[nH]c(C)nc23)c1=O
InChIInChI=1S/C21H22N4O3/c1-12-23-17-5-3-4-14(19(17)24-12)10-25-11-15(18(26)8-13-6-7-13)9-16(21(25)28)20(27)22-2/h3-5,9,11,13H,6-8,10H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyINCWORGQFUKLTD-UHFFFAOYSA-N
XLogP2.42
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 160751472
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 158670228
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 158191283
5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 158191284
5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 162227887
5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide;5-[2-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 161227412
5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161288744
5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 139538189
5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 160951853
1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 161110422
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide (CID 158748068) is 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3[nH]c(C)nc23)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is INCWORGQFUKLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-12-23-17-5-3-4-14(19(17)24-12)10-25-11-15(18(26)8-13-6-7-13)9-16(21(25)28)20(27)22-2/h3-5,9,11,13H,6-8,10H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 158748068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).