2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid

C15H20N2O3 — CID 122055688

IUPAC2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCC1CCC(NC(=O)c2cc(C(=O)O)ccn2)C(C)C1
InChIInChI=1S/C15H20N2O3/c1-9-3-4-12(10(2)7-9)17-14(18)13-8-11(15(19)20)5-6-16-13/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQWHDPTVPXXTPNV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds3

About 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid

2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055688) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055688
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCC1CCC(NC(=O)c2cc(C(=O)O)ccn2)C(C)C1
InChIInChI=1S/C15H20N2O3/c1-9-3-4-12(10(2)7-9)17-14(18)13-8-11(15(19)20)5-6-16-13/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQWHDPTVPXXTPNV-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 63997179
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
N-(2,4-dimethylcyclohexyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641444
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
2-[(2,4-dimethylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107554016
2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055718
6-amino-5-chloro-N-(2,4-dimethylcyclohexyl)pyridine-3-carboxamide
CID 63999211
4-amino-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 62410186
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055290

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid (CID 122055688) is 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid is CC1CCC(NC(=O)c2cc(C(=O)O)ccn2)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is QWHDPTVPXXTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-3-4-12(10(2)7-9)17-14(18)13-8-11(15(19)20)5-6-16-13/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid?
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).