N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C15H14N4O3 — CID 125432858

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NCc2nc3ccccc3[nH]2)cc1=O
InChIInChI=1S/C15H14N4O3/c1-22-13-7-16-11(6-12(13)20)15(21)17-8-14-18-9-4-2-3-5-10(9)19-14/h2-7H,8H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyQHUQHXDBMLEFDP-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.19
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 125432858) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID125432858
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NCc2nc3ccccc3[nH]2)cc1=O
InChIInChI=1S/C15H14N4O3/c1-22-13-7-16-11(6-12(13)20)15(21)17-8-14-18-9-4-2-3-5-10(9)19-14/h2-7H,8H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyQHUQHXDBMLEFDP-UHFFFAOYSA-N
XLogP1.19
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 78913198
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
CID 77090238
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 18126137
N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide
CID 146024032
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 125432858) is N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)NCc2nc3ccccc3[nH]2)cc1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is QHUQHXDBMLEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-22-13-7-16-11(6-12(13)20)15(21)17-8-14-18-9-4-2-3-5-10(9)19-14/h2-7H,8H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 125432858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).