N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C11H12N4O2 — CID 115620327

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc[nH]c1=O
InChIInChI=1S/C11H12N4O2/c16-10-8(2-1-4-14-10)11(17)15-5-3-9-12-6-7-13-9/h1-2,4,6-7H,3,5H2,(H,12,13)(H,14,16)(H,15,17)
InChIKeyUSUAVNWLTXCJBZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.07
Rot. Bonds4

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

N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 115620327) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID115620327
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc[nH]c1=O
InChIInChI=1S/C11H12N4O2/c16-10-8(2-1-4-14-10)11(17)15-5-3-9-12-6-7-13-9/h1-2,4,6-7H,3,5H2,(H,12,13)(H,14,16)(H,15,17)
InChIKeyUSUAVNWLTXCJBZ-UHFFFAOYSA-N
XLogP0.07
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 114103254
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 115620327) is N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is USUAVNWLTXCJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-10-8(2-1-4-14-10)11(17)15-5-3-9-12-6-7-13-9/h1-2,4,6-7H,3,5H2,(H,12,13)(H,14,16)(H,15,17).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115620327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).