(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide

C15H14N4O2 — CID 94151702

IUPAC(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1c[nH]ccc1=O)n1cnc2ccccc21
InChIInChI=1S/C15H14N4O2/c1-10(15(21)18-12-8-16-7-6-14(12)20)19-9-17-11-4-2-3-5-13(11)19/h2-10H,1H3,(H,16,20)(H,18,21)/t10-/m0/s1
InChIKeyMZNMOUNPSUMXGL-JTQLQIEISA-N
MW282.30 g/mol
LogP1.92
Rot. Bonds3

About (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide

(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 94151702) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
PubChem CID94151702
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1c[nH]ccc1=O)n1cnc2ccccc21
InChIInChI=1S/C15H14N4O2/c1-10(15(21)18-12-8-16-7-6-14(12)20)19-9-17-11-4-2-3-5-13(11)19/h2-10H,1H3,(H,16,20)(H,18,21)/t10-/m0/s1
InChIKeyMZNMOUNPSUMXGL-JTQLQIEISA-N
XLogP1.92
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide (CID 94151702) is (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide is C[C@@H](C(=O)Nc1c[nH]ccc1=O)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is MZNMOUNPSUMXGL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10(15(21)18-12-8-16-7-6-14(12)20)19-9-17-11-4-2-3-5-13(11)19/h2-10H,1H3,(H,16,20)(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide?
(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 282.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 94151702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).