2-(2-oxopropylamino)pyridine-3-carboxylic acid

C9H10N2O3 — CID 89326661

IUPAC2-(2-oxopropylamino)pyridine-3-carboxylic acid
SMILESCC(=O)CNc1ncccc1C(=O)O
InChIInChI=1S/C9H10N2O3/c1-6(12)5-11-8-7(9(13)14)3-2-4-10-8/h2-4H,5H2,1H3,(H,10,11)(H,13,14)
InChIKeyNHMDWBZOWSVPIU-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.78
Rot. Bonds4

About 2-(2-oxopropylamino)pyridine-3-carboxylic acid

2-(2-oxopropylamino)pyridine-3-carboxylic acid (PubChem CID 89326661) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-oxopropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxopropylamino)pyridine-3-carboxylic acid
PubChem CID89326661
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(2-oxopropylamino)pyridine-3-carboxylic acid
SMILESCC(=O)CNc1ncccc1C(=O)O
InChIInChI=1S/C9H10N2O3/c1-6(12)5-11-8-7(9(13)14)3-2-4-10-8/h2-4H,5H2,1H3,(H,10,11)(H,13,14)
InChIKeyNHMDWBZOWSVPIU-UHFFFAOYSA-N
XLogP0.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764
acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride
CID 159103245
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-formamidopyridine-3-carboxylic acid
CID 54137252

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-oxopropylamino)pyridine-3-carboxylic acid (CID 89326661) is 2-(2-oxopropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-oxopropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-oxopropylamino)pyridine-3-carboxylic acid is CC(=O)CNc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-oxopropylamino)pyridine-3-carboxylic acid?
The InChIKey is NHMDWBZOWSVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6(12)5-11-8-7(9(13)14)3-2-4-10-8/h2-4H,5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-(2-oxopropylamino)pyridine-3-carboxylic acid?
2-(2-oxopropylamino)pyridine-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 89326661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).