4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid

C19H20N2O3 — CID 119186302

IUPAC4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CN(C(=O)c2ccnc(C(=O)O)c2)C2CC2)cc1C
InChIInChI=1S/C19H20N2O3/c1-12-3-4-14(9-13(12)2)11-21(16-5-6-16)18(22)15-7-8-20-17(10-15)19(23)24/h3-4,7-10,16H,5-6,11H2,1-2H3,(H,23,24)
InChIKeyXEJAISVGYSKAMM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.20
Rot. Bonds5

About 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid

4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119186302) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119186302
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CN(C(=O)c2ccnc(C(=O)O)c2)C2CC2)cc1C
InChIInChI=1S/C19H20N2O3/c1-12-3-4-14(9-13(12)2)11-21(16-5-6-16)18(22)15-7-8-20-17(10-15)19(23)24/h3-4,7-10,16H,5-6,11H2,1-2H3,(H,23,24)
InChIKeyXEJAISVGYSKAMM-UHFFFAOYSA-N
XLogP3.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 119186302) is 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(CN(C(=O)c2ccnc(C(=O)O)c2)C2CC2)cc1C.
What is the InChIKey of 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XEJAISVGYSKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-3-4-14(9-13(12)2)11-21(16-5-6-16)18(22)15-7-8-20-17(10-15)19(23)24/h3-4,7-10,16H,5-6,11H2,1-2H3,(H,23,24).
What are the key properties of 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).