3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid

C20H24N2O3 — CID 59095928

IUPAC3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C)c(C(=O)O)n1
InChIInChI=1S/C20H24N2O3/c1-12-10-14(18(23)21-11-20(3,4)5)7-9-15(12)16-8-6-13(2)22-17(16)19(24)25/h6-10H,11H2,1-5H3,(H,21,23)(H,24,25)
InChIKeyLVZNNXPSHNAWDE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.84
Rot. Bonds4

About 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid

3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid (PubChem CID 59095928) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid
PubChem CID59095928
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C)c(C(=O)O)n1
InChIInChI=1S/C20H24N2O3/c1-12-10-14(18(23)21-11-20(3,4)5)7-9-15(12)16-8-6-13(2)22-17(16)19(24)25/h6-10H,11H2,1-5H3,(H,21,23)(H,24,25)
InChIKeyLVZNNXPSHNAWDE-UHFFFAOYSA-N
XLogP3.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridinyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid
CID 22626008
5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 91185005
3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxycarbonylphenyl]-4-methylbenzoic acid;methyl 5-(2,2-dimethylpropylcarbamoyl)-2-[5-(2-hydroxyethylcarbamoyl)-2-methylphenyl]benzoate
CID 160629180
[2-bromo-5-(2,2-dimethylpropylcarbamoyl)phenyl]carbamic acid
CID 69225776
2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridinyl]-5-[(4-hydroxy-2,2-dimethylbutyl)carbamoyl]benzoic acid
CID 22626384
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid
CID 161055186
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
N-(3-bromo-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115364776
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid (CID 59095928) is 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C)c(C(=O)O)n1.
What is the InChIKey of 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid?
The InChIKey is LVZNNXPSHNAWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12-10-14(18(23)21-11-20(3,4)5)7-9-15(12)16-8-6-13(2)22-17(16)19(24)25/h6-10H,11H2,1-5H3,(H,21,23)(H,24,25).
What are the key properties of 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid?
3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropylcarbamoyl)-2-methylphenyl]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 59095928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).