2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one

C13H18N2O — CID 83888261

IUPAC2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
SMILESCC(C)C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H18N2O/c1-10(2)13(16)11-5-6-12(14-9-11)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyMRXLHHHVGJNUCX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one

2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one (PubChem CID 83888261) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
PubChem CID83888261
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
SMILESCC(C)C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H18N2O/c1-10(2)13(16)11-5-6-12(14-9-11)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyMRXLHHHVGJNUCX-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)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-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 119435141
2-[5-(2-methylpropanoyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 130471400
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one?
The IUPAC name of 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one (CID 83888261) is 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one is CC(C)C(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one?
The InChIKey is MRXLHHHVGJNUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)13(16)11-5-6-12(14-9-11)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one?
2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 83888261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).