6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid

C15H16N2O3 — CID 20553799

IUPAC6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)Cc1[nH]c(=O)c(C(=O)O)cc1-c1ccncc1
InChIInChI=1S/C15H16N2O3/c1-9(2)7-13-11(10-3-5-16-6-4-10)8-12(15(19)20)14(18)17-13/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBDRMYCXMUYMARH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.33
Rot. Bonds4

About 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid

6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid (PubChem CID 20553799) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
PubChem CID20553799
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)Cc1[nH]c(=O)c(C(=O)O)cc1-c1ccncc1
InChIInChI=1S/C15H16N2O3/c1-9(2)7-13-11(10-3-5-16-6-4-10)8-12(15(19)20)14(18)17-13/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBDRMYCXMUYMARH-UHFFFAOYSA-N
XLogP2.33
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Milrinone
CID 4197
4-Oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinolizine-3-carboxylic acid
CID 45279815
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CID 6398937
1-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-4-oxoquinolizine-3-carboxylic acid
CID 44230519
1-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-4-oxoquinolizine-3-carboxylic acid
CID 44230520
4-Oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 53319068
1-[[4-(2-Fluoro-3-pyridinyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53325489
3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 12799333
(Z)-4-oxo-4-((pyridin-3-ylmethyl)amino)but-2-enoic acid
CID 1550899
Pyridine, 4-(((alpha-methylphenethyl)amino)methyl)-, maleate (1:1)
CID 6444741
2-Oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 12873362
2-Propenoic acid, 2-methyl-, C9-18-alkyl esters, polymers with 4-vinylpyridine
CID 44148698

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid (CID 20553799) is 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid is CC(C)Cc1[nH]c(=O)c(C(=O)O)cc1-c1ccncc1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is BDRMYCXMUYMARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)7-13-11(10-3-5-16-6-4-10)8-12(15(19)20)14(18)17-13/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 20553799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).