6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

C24H31N3O2 — CID 90911796

IUPAC6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(C3CCCCC3)N3CCCCC3)cc2)nc1
InChIInChI=1S/C24H31N3O2/c25-24(28)20-11-14-22(26-17-20)29-21-12-9-19(10-13-21)23(18-7-3-1-4-8-18)27-15-5-2-6-16-27/h9-14,17-18,23H,1-8,15-16H2,(H2,25,28)
InChIKeyDRZFRSWMBYGGMD-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.08
Rot. Bonds6

About 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 90911796) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID90911796
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(C3CCCCC3)N3CCCCC3)cc2)nc1
InChIInChI=1S/C24H31N3O2/c25-24(28)20-11-14-22(26-17-20)29-21-12-9-19(10-13-21)23(18-7-3-1-4-8-18)27-15-5-2-6-16-27/h9-14,17-18,23H,1-8,15-16H2,(H2,25,28)
InChIKeyDRZFRSWMBYGGMD-UHFFFAOYSA-N
XLogP5.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide 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 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (CID 90911796) is 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(C(C3CCCCC3)N3CCCCC3)cc2)nc1.
What is the InChIKey of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is DRZFRSWMBYGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c25-24(28)20-11-14-22(26-17-20)29-21-12-9-19(10-13-21)23(18-7-3-1-4-8-18)27-15-5-2-6-16-27/h9-14,17-18,23H,1-8,15-16H2,(H2,25,28).
What are the key properties of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 90911796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).