4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid

C15H22N2O3 — CID 170502555

IUPAC4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid
SMILESCCCN1CCC(Cn2ccc(C)c(C(=O)O)c2=O)C1
InChIInChI=1S/C15H22N2O3/c1-3-6-16-7-5-12(9-16)10-17-8-4-11(2)13(14(17)18)15(19)20/h4,8,12H,3,5-7,9-10H2,1-2H3,(H,19,20)
InChIKeyULLYWKBMRYJVAC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid

4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 170502555) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid
PubChem CID170502555
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid
SMILESCCCN1CCC(Cn2ccc(C)c(C(=O)O)c2=O)C1
InChIInChI=1S/C15H22N2O3/c1-3-6-16-7-5-12(9-16)10-17-8-4-11(2)13(14(17)18)15(19)20/h4,8,12H,3,5-7,9-10H2,1-2H3,(H,19,20)
InChIKeyULLYWKBMRYJVAC-UHFFFAOYSA-N
XLogP1.59
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid 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-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511596
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720
4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
CID 170503371
4-methyl-1-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
CID 170503698
1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170513126
4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82111979
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172663999

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid (CID 170502555) is 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid is CCCN1CCC(Cn2ccc(C)c(C(=O)O)c2=O)C1.
What is the InChIKey of 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is ULLYWKBMRYJVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-6-16-7-5-12(9-16)10-17-8-4-11(2)13(14(17)18)15(19)20/h4,8,12H,3,5-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 170502555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).