4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid

C13H18N2O2 — CID 43143066

IUPAC4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCC1CCC(Nc2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)15-11-6-7-14-12(8-11)13(16)17/h6-10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyHUPAIZLPZAYNAJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds3

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

4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid (PubChem CID 43143066) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
PubChem CID43143066
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCC1CCC(Nc2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)15-11-6-7-14-12(8-11)13(16)17/h6-10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyHUPAIZLPZAYNAJ-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395286
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
CID 103063321
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107853442
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249
4-(methylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55042259
N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid (CID 43143066) is 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid is CC1CCC(Nc2ccnc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
The InChIKey is HUPAIZLPZAYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)15-11-6-7-14-12(8-11)13(16)17/h6-10H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 43143066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).