6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate

C16H16NO3- — CID 35549170

IUPAC6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)[O-])cn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14(16(19)20)15(18)8-11(17)3/h4-10H,1-3H3,(H,19,20)/p-1
InChIKeyIRCOZPOADMDNRD-UHFFFAOYSA-M
MW270.31 g/mol
LogP1.63
Rot. Bonds3

About 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate

6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate (PubChem CID 35549170) has the molecular formula C16H16NO3- and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate
PubChem CID35549170
Molecular FormulaC16H16NO3-
Molecular Weight270.31 g/mol
Exact Mass270.11
IUPAC Name6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)[O-])cn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14(16(19)20)15(18)8-11(17)3/h4-10H,1-3H3,(H,19,20)/p-1
InChIKeyIRCOZPOADMDNRD-UHFFFAOYSA-M
XLogP1.63
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
CID 82421340
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
2-[6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]acetic acid
CID 82421430
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82419028
4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid
CID 130424057
1-(4-propan-2-ylphenyl)benzimidazole-5-carboxylate
CID 4525946
lithium 4-propan-2-ylbenzoate
CID 58547643
2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
CID 82419755
1-(5-methyl-1-phenylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 50857725
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate?
The IUPAC name of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate (CID 35549170) is 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate?
The canonical SMILES for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate is Cc1cc(=O)c(C(=O)[O-])cn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate?
The InChIKey is IRCOZPOADMDNRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14(16(19)20)15(18)8-11(17)3/h4-10H,1-3H3,(H,19,20)/p-1.
What are the key properties of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate?
6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 35549170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).