3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one

C16H23N3O2 — CID 136519955

IUPAC3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
SMILESCC(=O)c1ccc(NCCC(=O)N2CCCCCC2)nc1
InChIInChI=1S/C16H23N3O2/c1-13(20)14-6-7-15(18-12-14)17-9-8-16(21)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H,17,18)
InChIKeyKYXQWWYODNOLJU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds5

About 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one

3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one (PubChem CID 136519955) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
PubChem CID136519955
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
SMILESCC(=O)c1ccc(NCCC(=O)N2CCCCCC2)nc1
InChIInChI=1S/C16H23N3O2/c1-13(20)14-6-7-15(18-12-14)17-9-8-16(21)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H,17,18)
InChIKeyKYXQWWYODNOLJU-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one 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

6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
1-[6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]-3-pyridinyl]ethanone
CID 91650965
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
4-acetyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 133466054
1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 86788679

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one?
The IUPAC name of 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one (CID 136519955) is 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one.
What is the SMILES notation for 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one?
The canonical SMILES for 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one is CC(=O)c1ccc(NCCC(=O)N2CCCCCC2)nc1.
What is the InChIKey of 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one?
The InChIKey is KYXQWWYODNOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)14-6-7-15(18-12-14)17-9-8-16(21)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H,17,18).
What are the key properties of 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one?
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one is sourced from PubChem (CID 136519955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).