N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H13N5O2 — CID 56816401

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1ccc[nH]c1=O
InChIInChI=1S/C15H13N5O2/c21-14-12(2-1-4-18-14)15(22)19-9-11-3-5-17-13(8-11)20-7-6-16-10-20/h1-8,10H,9H2,(H,18,21)(H,19,22)
InChIKeyCFTNBHUBDZEZBZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.89
Rot. Bonds4

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56816401) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56816401
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1ccc[nH]c1=O
InChIInChI=1S/C15H13N5O2/c21-14-12(2-1-4-18-14)15(22)19-9-11-3-5-17-13(8-11)20-7-6-16-10-20/h1-8,10H,9H2,(H,18,21)(H,19,22)
InChIKeyCFTNBHUBDZEZBZ-UHFFFAOYSA-N
XLogP0.89
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56816401) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CFTNBHUBDZEZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14-12(2-1-4-18-14)15(22)19-9-11-3-5-17-13(8-11)20-7-6-16-10-20/h1-8,10H,9H2,(H,18,21)(H,19,22).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56816401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).