4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid

C15H22N2O2 — CID 81244619

IUPAC4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCCCC1CCC(Nc2ccncc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-2-3-11-4-6-12(7-5-11)17-14-8-9-16-10-13(14)15(18)19/h8-12H,2-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyZCZNAVHSXNGWBN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.55
Rot. Bonds5

About 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid

4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 81244619) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID81244619
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCCCC1CCC(Nc2ccncc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-2-3-11-4-6-12(7-5-11)17-14-8-9-16-10-13(14)15(18)19/h8-12H,2-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyZCZNAVHSXNGWBN-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 81244619) is 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid is CCCC1CCC(Nc2ccncc2C(=O)O)CC1.
What is the InChIKey of 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZCZNAVHSXNGWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-11-4-6-12(7-5-11)17-14-8-9-16-10-13(14)15(18)19/h8-12H,2-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid?
4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).