6-oxo-1-propan-2-ylpyridine-3-carboxamide

C9H12N2O2 — CID 12791802

IUPAC6-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(N)=O)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-6(2)11-5-7(9(10)13)3-4-8(11)12/h3-6H,1-2H3,(H2,10,13)
InChIKeyXZLQZODZHFJECM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.53
Rot. Bonds2

About 6-oxo-1-propan-2-ylpyridine-3-carboxamide

6-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 12791802) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID12791802
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(N)=O)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-6(2)11-5-7(9(10)13)3-4-8(11)12/h3-6H,1-2H3,(H2,10,13)
InChIKeyXZLQZODZHFJECM-UHFFFAOYSA-N
XLogP0.53
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 12791802) is 6-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cc(C(N)=O)ccc1=O.
What is the InChIKey of 6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is XZLQZODZHFJECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)11-5-7(9(10)13)3-4-8(11)12/h3-6H,1-2H3,(H2,10,13).
What are the key properties of 6-oxo-1-propan-2-ylpyridine-3-carboxamide?
6-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 12791802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).