2-oxo-6-propyl-1H-pyridine-3-carboxamide

C9H12N2O2 — CID 67499518

IUPAC2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1ccc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-2-3-6-4-5-7(8(10)12)9(13)11-6/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)
InChIKeyTYDSBHMSLGOEJY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.43
Rot. Bonds3

About 2-oxo-6-propyl-1H-pyridine-3-carboxamide

2-oxo-6-propyl-1H-pyridine-3-carboxamide (PubChem CID 67499518) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-oxo-6-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-propyl-1H-pyridine-3-carboxamide
PubChem CID67499518
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1ccc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-2-3-6-4-5-7(8(10)12)9(13)11-6/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)
InChIKeyTYDSBHMSLGOEJY-UHFFFAOYSA-N
XLogP0.43
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-propyl-1H-pyridine-3-carboxamide (CID 67499518) is 2-oxo-6-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-propyl-1H-pyridine-3-carboxamide is CCCc1ccc(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The InChIKey is TYDSBHMSLGOEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-3-6-4-5-7(8(10)12)9(13)11-6/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-oxo-6-propyl-1H-pyridine-3-carboxamide?
2-oxo-6-propyl-1H-pyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 67499518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).