2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide

C15H14N4O3 — CID 94147869

IUPAC2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4O3/c1-8(17-14(21)10-3-2-6-16-13(10)20)9-4-5-11-12(7-9)19-15(22)18-11/h2-8H,1H3,(H,16,20)(H,17,21)(H2,18,19,22)/t8-/m0/s1
InChIKeyYYTPWCVXQQMZID-QMMMGPOBSA-N
MW298.30 g/mol
LogP1.04
Rot. Bonds3

About 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide

2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 94147869) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID94147869
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4O3/c1-8(17-14(21)10-3-2-6-16-13(10)20)9-4-5-11-12(7-9)19-15(22)18-11/h2-8H,1H3,(H,16,20)(H,17,21)(H2,18,19,22)/t8-/m0/s1
InChIKeyYYTPWCVXQQMZID-QMMMGPOBSA-N
XLogP1.04
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25443183
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322
N-but-3-yn-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 114418972
3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 52520664
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 17495468
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide (CID 94147869) is 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is YYTPWCVXQQMZID-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-8(17-14(21)10-3-2-6-16-13(10)20)9-4-5-11-12(7-9)19-15(22)18-11/h2-8H,1H3,(H,16,20)(H,17,21)(H2,18,19,22)/t8-/m0/s1.
What are the key properties of 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94147869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).