6-oxo-1-propylpyridine-3-carboxamide

C9H12N2O2 — CID 12791800

IUPAC6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1cc(C(N)=O)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-2-5-11-6-7(9(10)13)3-4-8(11)12/h3-4,6H,2,5H2,1H3,(H2,10,13)
InChIKeyKVGUEASXSWIJGL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.36
Rot. Bonds3

About 6-oxo-1-propylpyridine-3-carboxamide

6-oxo-1-propylpyridine-3-carboxamide (PubChem CID 12791800) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propylpyridine-3-carboxamide
PubChem CID12791800
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1cc(C(N)=O)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-2-5-11-6-7(9(10)13)3-4-8(11)12/h3-4,6H,2,5H2,1H3,(H2,10,13)
InChIKeyKVGUEASXSWIJGL-UHFFFAOYSA-N
XLogP0.36
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of 6-oxo-1-propylpyridine-3-carboxamide (CID 12791800) is 6-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propylpyridine-3-carboxamide is CCCn1cc(C(N)=O)ccc1=O.
What is the InChIKey of 6-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is KVGUEASXSWIJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-5-11-6-7(9(10)13)3-4-8(11)12/h3-4,6H,2,5H2,1H3,(H2,10,13).
What are the key properties of 6-oxo-1-propylpyridine-3-carboxamide?
6-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 12791800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).