2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid

C17H22N2O3 — CID 122055290

IUPAC2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCC1CCC(N(C(=O)c2cc(C(=O)O)ccn2)C2CC2)CC1
InChIInChI=1S/C17H22N2O3/c1-11-2-4-13(5-3-11)19(14-6-7-14)16(20)15-10-12(17(21)22)8-9-18-15/h8-11,13-14H,2-7H2,1H3,(H,21,22)
InChIKeyLWFOXXMZWDCSQT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.96
Rot. Bonds4

About 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid

2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055290) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055290
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCC1CCC(N(C(=O)c2cc(C(=O)O)ccn2)C2CC2)CC1
InChIInChI=1S/C17H22N2O3/c1-11-2-4-13(5-3-11)19(14-6-7-14)16(20)15-10-12(17(21)22)8-9-18-15/h8-11,13-14H,2-7H2,1H3,(H,21,22)
InChIKeyLWFOXXMZWDCSQT-UHFFFAOYSA-N
XLogP2.96
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-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

Related Compounds

2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055619
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056277
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid (CID 122055290) is 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid is CC1CCC(N(C(=O)c2cc(C(=O)O)ccn2)C2CC2)CC1.
What is the InChIKey of 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is LWFOXXMZWDCSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-2-4-13(5-3-11)19(14-6-7-14)16(20)15-10-12(17(21)22)8-9-18-15/h8-11,13-14H,2-7H2,1H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).