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

C15H22N2O3 — CID 170503371

IUPAC4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
SMILESCc1ccn(CC2CCCN2C(C)C)c(=O)c1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)17-7-4-5-12(17)9-16-8-6-11(3)13(14(16)18)15(19)20/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,19,20)
InChIKeyVHVUMUAVNLBTLJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds4

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

4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 170503371) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
PubChem CID170503371
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
SMILESCc1ccn(CC2CCCN2C(C)C)c(=O)c1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)17-7-4-5-12(17)9-16-8-6-11(3)13(14(16)18)15(19)20/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,19,20)
InChIKeyVHVUMUAVNLBTLJ-UHFFFAOYSA-N
XLogP1.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511596
4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid
CID 170502555
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazole-3-carboxylic acid
CID 167396164
4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82111979
1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170513126
(5R)-2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-5-carboxylic acid
CID 115056717
2-oxo-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine-4-carboxylic acid
CID 115102469
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511227
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-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide
CID 77081382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid (CID 170503371) is 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid is Cc1ccn(CC2CCCN2C(C)C)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is VHVUMUAVNLBTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17-7-4-5-12(17)9-16-8-6-11(3)13(14(16)18)15(19)20/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.73, 4 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-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 170503371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).