4-cyano-2-oxo-1H-pyridine-3-carboxamide

C7H5N3O2 — CID 142762697

IUPAC4-cyano-2-oxo-1H-pyridine-3-carboxamide
SMILESN#Cc1cc[nH]c(=O)c1C(N)=O
InChIInChI=1S/C7H5N3O2/c8-3-4-1-2-10-7(12)5(4)6(9)11/h1-2H,(H2,9,11)(H,10,12)
InChIKeyYYBXVPAYBIRZAL-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.65
Rot. Bonds1

About 4-cyano-2-oxo-1H-pyridine-3-carboxamide

4-cyano-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 142762697) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-cyano-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-oxo-1H-pyridine-3-carboxamide
PubChem CID142762697
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name4-cyano-2-oxo-1H-pyridine-3-carboxamide
SMILESN#Cc1cc[nH]c(=O)c1C(N)=O
InChIInChI=1S/C7H5N3O2/c8-3-4-1-2-10-7(12)5(4)6(9)11/h1-2H,(H2,9,11)(H,10,12)
InChIKeyYYBXVPAYBIRZAL-UHFFFAOYSA-N
XLogP-0.65
TPSA99.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-cyano-2-oxo-1H-pyridine-3-carboxamide (CID 142762697) is 4-cyano-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-cyano-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-cyano-2-oxo-1H-pyridine-3-carboxamide is N#Cc1cc[nH]c(=O)c1C(N)=O.
What is the InChIKey of 4-cyano-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YYBXVPAYBIRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-3-4-1-2-10-7(12)5(4)6(9)11/h1-2H,(H2,9,11)(H,10,12).
What are the key properties of 4-cyano-2-oxo-1H-pyridine-3-carboxamide?
4-cyano-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 163.14 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 142762697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).