N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide

C9H12N2O3 — CID 103846218

IUPACN-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(CO)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-6(5-12)10-9(14)7-3-2-4-8(13)11-7/h2-4,6,12H,5H2,1H3,(H,10,14)(H,11,13)
InChIKeyDDGQHSANYZUWJZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.51
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide

N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 103846218) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID103846218
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(CO)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-6(5-12)10-9(14)7-3-2-4-8(13)11-7/h2-4,6,12H,5H2,1H3,(H,10,14)(H,11,13)
InChIKeyDDGQHSANYZUWJZ-UHFFFAOYSA-N
XLogP-0.51
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide (CID 103846218) is N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide is CC(CO)NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is DDGQHSANYZUWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(5-12)10-9(14)7-3-2-4-8(13)11-7/h2-4,6,12H,5H2,1H3,(H,10,14)(H,11,13).
What are the key properties of N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide?
N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 103846218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).