4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid

C16H17NO3 — CID 82123848

IUPAC4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(C)n(C)c(=O)c2C(=O)O)cc1C
InChIInChI=1S/C16H17NO3/c1-9-5-6-12(7-10(9)2)13-8-11(3)17(4)15(18)14(13)16(19)20/h5-8H,1-4H3,(H,19,20)
InChIKeyWLCMQXDAKNLQKV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.68
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid

4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82123848) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID82123848
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(C)n(C)c(=O)c2C(=O)O)cc1C
InChIInChI=1S/C16H17NO3/c1-9-5-6-12(7-10(9)2)13-8-11(3)17(4)15(18)14(13)16(19)20/h5-8H,1-4H3,(H,19,20)
InChIKeyWLCMQXDAKNLQKV-UHFFFAOYSA-N
XLogP2.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82483307
3-(3,4-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324812
2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
CID 82107017
4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82293374
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520130
N,N,1,4,6-pentamethyl-2-oxopyridine-3-carboxamide
CID 23741260
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid
CID 82036569
3-[5-(3,4-dimethylphenyl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28899852
6-(3,4-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
CID 116821494
2-(3,4-dichlorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075313
acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
CID 70501688

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 82123848) is 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(-c2cc(C)n(C)c(=O)c2C(=O)O)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is WLCMQXDAKNLQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-9-5-6-12(7-10(9)2)13-8-11(3)17(4)15(18)14(13)16(19)20/h5-8H,1-4H3,(H,19,20).
What are the key properties of 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82123848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).