4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid

C9H12N2O3 — CID 63265091

IUPAC4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CO)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-6(5-12)11-7-2-3-10-8(4-7)9(13)14/h2-4,6,12H,5H2,1H3,(H,10,11)(H,13,14)
InChIKeyIDGIJWZANZGLDK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds4

About 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid

4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 63265091) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID63265091
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CO)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-6(5-12)11-7-2-3-10-8(4-7)9(13)14/h2-4,6,12H,5H2,1H3,(H,10,11)(H,13,14)
InChIKeyIDGIJWZANZGLDK-UHFFFAOYSA-N
XLogP0.57
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
CID 130645621
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
CID 63009703
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61499911
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 61477977
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid (CID 63265091) is 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid is CC(CO)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is IDGIJWZANZGLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(5-12)11-7-2-3-10-8(4-7)9(13)14/h2-4,6,12H,5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid?
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63265091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).