6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide

C9H12N2O2 — CID 15334838

IUPAC6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-6(2)10-9(13)7-4-3-5-8(12)11-7/h3-6H,1-2H3,(H,10,13)(H,11,12)
InChIKeyYKTUNWYSSHLMKT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.51
Rot. Bonds2

About 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide

6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (PubChem CID 15334838) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
PubChem CID15334838
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c1-6(2)10-9(13)7-4-3-5-8(12)11-7/h3-6H,1-2H3,(H,10,13)(H,11,12)
InChIKeyYKTUNWYSSHLMKT-UHFFFAOYSA-N
XLogP0.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (CID 15334838) is 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is CC(C)NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The InChIKey is YKTUNWYSSHLMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)10-9(13)7-4-3-5-8(12)11-7/h3-6H,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 15334838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).