2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid

C10H12N2O4 — CID 63614422

IUPAC2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(CO)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6(5-13)12-9(14)8-7(10(15)16)3-2-4-11-8/h2-4,6,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyVIVOASSXHXLXOT-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.11
Rot. Bonds4

About 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid

2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63614422) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63614422
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(CO)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6(5-13)12-9(14)8-7(10(15)16)3-2-4-11-8/h2-4,6,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyVIVOASSXHXLXOT-UHFFFAOYSA-N
XLogP-0.11
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 63614422) is 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CC(CO)NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is VIVOASSXHXLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(5-13)12-9(14)8-7(10(15)16)3-2-4-11-8/h2-4,6,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).