4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid

C14H18N2O3 — CID 112700598

IUPAC4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1ccnc(C(=O)O)c1)C1CCCCC1
InChIInChI=1S/C14H18N2O3/c1-16(11-5-3-2-4-6-11)13(17)10-7-8-15-12(9-10)14(18)19/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyVAENVHKKJYZPSS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.18
Rot. Bonds3

About 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid

4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 112700598) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID112700598
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1ccnc(C(=O)O)c1)C1CCCCC1
InChIInChI=1S/C14H18N2O3/c1-16(11-5-3-2-4-6-11)13(17)10-7-8-15-12(9-10)14(18)19/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyVAENVHKKJYZPSS-UHFFFAOYSA-N
XLogP2.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119187147
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270971
N-cyclopropyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62168437
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622
N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846829

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 112700598) is 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid is CN(C(=O)c1ccnc(C(=O)O)c1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VAENVHKKJYZPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(11-5-3-2-4-6-11)13(17)10-7-8-15-12(9-10)14(18)19/h7-9,11H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 112700598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).