N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide

C12H9ClN2O2 — CID 8762448

IUPACN-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H9ClN2O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1-7H,(H,14,16)(H,15,17)
InChIKeyRCNOFDYZWOTAOC-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds2

About N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 8762448) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID8762448
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC NameN-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H9ClN2O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1-7H,(H,14,16)(H,15,17)
InChIKeyRCNOFDYZWOTAOC-UHFFFAOYSA-N
XLogP2.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 8762448) is N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RCNOFDYZWOTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-2-4-10(5-3-9)15-12(17)8-1-6-11(16)14-7-8/h1-7H,(H,14,16)(H,15,17).
What are the key properties of N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 8762448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).