1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone

C10H14N2O2 — CID 130645621

IUPAC1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(NC(C)CO)ccn1
InChIInChI=1S/C10H14N2O2/c1-7(6-13)12-9-3-4-11-10(5-9)8(2)14/h3-5,7,13H,6H2,1-2H3,(H,11,12)
InChIKeyKMVVPSZJTQYZGY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.08
Rot. Bonds4

About 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone

1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone (PubChem CID 130645621) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
PubChem CID130645621
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(NC(C)CO)ccn1
InChIInChI=1S/C10H14N2O2/c1-7(6-13)12-9-3-4-11-10(5-9)8(2)14/h3-5,7,13H,6H2,1-2H3,(H,11,12)
InChIKeyKMVVPSZJTQYZGY-UHFFFAOYSA-N
XLogP1.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61245711
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
CID 54968476
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone (CID 130645621) is 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone is CC(=O)c1cc(NC(C)CO)ccn1.
What is the InChIKey of 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone?
The InChIKey is KMVVPSZJTQYZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(6-13)12-9-3-4-11-10(5-9)8(2)14/h3-5,7,13H,6H2,1-2H3,(H,11,12).
What are the key properties of 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone?
1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone is sourced from PubChem (CID 130645621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).