4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid

C19H28N2O3 — CID 122030855

IUPAC4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccnc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C19H28N2O3/c22-19(23)15-6-8-16(9-7-15)21-13-14-10-11-20-18(12-14)24-17-4-2-1-3-5-17/h10-12,15-17,21H,1-9,13H2,(H,22,23)
InChIKeyUDFKROJZISYYOO-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.53
Rot. Bonds6

About 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid

4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122030855) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID122030855
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccnc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C19H28N2O3/c22-19(23)15-6-8-16(9-7-15)21-13-14-10-11-20-18(12-14)24-17-4-2-1-3-5-17/h10-12,15-17,21H,1-9,13H2,(H,22,23)
InChIKeyUDFKROJZISYYOO-UHFFFAOYSA-N
XLogP3.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid (CID 122030855) is 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2ccnc(OC3CCCCC3)c2)CC1.
What is the InChIKey of 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UDFKROJZISYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(23)15-6-8-16(9-7-15)21-13-14-10-11-20-18(12-14)24-17-4-2-1-3-5-17/h10-12,15-17,21H,1-9,13H2,(H,22,23).
What are the key properties of 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).