N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C9H8N4O2 — CID 60968095

IUPACN-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H8N4O2/c14-7-2-1-6(5-12-7)8(15)13-9-10-3-4-11-9/h1-5H,(H,12,14)(H2,10,11,13,15)
InChIKeyKSQLUQHJCJCNGR-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.35
Rot. Bonds2

About N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60968095) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60968095
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H8N4O2/c14-7-2-1-6(5-12-7)8(15)13-9-10-3-4-11-9/h1-5H,(H,12,14)(H2,10,11,13,15)
InChIKeyKSQLUQHJCJCNGR-UHFFFAOYSA-N
XLogP0.35
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 60968095) is N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ncc[nH]1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KSQLUQHJCJCNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-7-2-1-6(5-12-7)8(15)13-9-10-3-4-11-9/h1-5H,(H,12,14)(H2,10,11,13,15).
What are the key properties of N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60968095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).