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

C16H17NO3 — CID 1489736

IUPAC6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
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)
InChIKeyIRCOZPOADMDNRD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds3

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

6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid (PubChem CID 1489736) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
PubChem CID1489736
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
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)
InChIKeyIRCOZPOADMDNRD-UHFFFAOYSA-N
XLogP2.97
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Dimethylphenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
CID 1489735
1-(3,5-Dimethylphenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
CID 1489744
6-Methyl-1-(3-methylphenyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
CID 1489807
6-Methyl-2-oxo-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 13604117
1-(2,4-Difluorophenyl)-6-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 16061020
3-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-6-methylpyran-2,4-dione
CID 16196356
9-(Dimethylamino)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 145987837
6-Methyl-9-(methylamino)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 145982186
Ro 13-5478
CID 13209201
(E)-3-(3-(4-(dimethylamino)phenyl)acryloyl)-4-hydroxy-6-methyl-2H-pyran-2-one
CID 135483622
3-{(2E,4E)-5-[4-(Dimethylamino)phenyl]penta-2,4-dienoyl}-4-hydroxy-6-methyl-2H-pyran-2-one
CID 135773736
6-[4-(Dimethylamino)phenyl]-5-ethyl-1-methyl-2-oxopyridine-3-carboxylic acid
CID 137649143

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid (CID 1489736) is 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid 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-carboxylic acid?
The InChIKey is IRCOZPOADMDNRD-UHFFFAOYSA-N. 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).
What are the key properties of 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 1489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).