4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid

C15H22N2O3 — CID 170506720

IUPAC4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
SMILESCc1ccn(CCCCN2CCCC2)c(=O)c1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-12-6-11-17(14(18)13(12)15(19)20)10-5-4-9-16-7-2-3-8-16/h6,11H,2-5,7-10H2,1H3,(H,19,20)
InChIKeyKYIYRBGRSCQULL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds6

About 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid

4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid (PubChem CID 170506720) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
PubChem CID170506720
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
SMILESCc1ccn(CCCCN2CCCC2)c(=O)c1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-12-6-11-17(14(18)13(12)15(19)20)10-5-4-9-16-7-2-3-8-16/h6,11H,2-5,7-10H2,1H3,(H,19,20)
InChIKeyKYIYRBGRSCQULL-UHFFFAOYSA-N
XLogP1.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 82121678
4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82111979
ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate
CID 105421684
1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511596
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170507016
4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid
CID 170502555
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511227
1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170513126
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
1-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511243
4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
CID 170511544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid (CID 170506720) is 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid is Cc1ccn(CCCCN2CCCC2)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid?
The InChIKey is KYIYRBGRSCQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-6-11-17(14(18)13(12)15(19)20)10-5-4-9-16-7-2-3-8-16/h6,11H,2-5,7-10H2,1H3,(H,19,20).
What are the key properties of 4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.73, 6 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-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170506720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).