N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C24H35N3O3 — CID 3244146

IUPACN-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H35N3O3/c28-22(21-13-5-8-16-25-21)27(18-20-12-9-17-30-20)24(14-6-2-7-15-24)23(29)26-19-10-3-1-4-11-19/h5,8,13,16,19-20H,1-4,6-7,9-12,14-15,17-18H2,(H,26,29)
InChIKeyITXHVKOKWFDSNJ-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.85
Rot. Bonds6

About N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3244146) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3244146
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H35N3O3/c28-22(21-13-5-8-16-25-21)27(18-20-12-9-17-30-20)24(14-6-2-7-15-24)23(29)26-19-10-3-1-4-11-19/h5,8,13,16,19-20H,1-4,6-7,9-12,14-15,17-18H2,(H,26,29)
InChIKeyITXHVKOKWFDSNJ-UHFFFAOYSA-N
XLogP3.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-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 N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 3244146) is N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(c1ccccn1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ITXHVKOKWFDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-22(21-13-5-8-16-25-21)27(18-20-12-9-17-30-20)24(14-6-2-7-15-24)23(29)26-19-10-3-1-4-11-19/h5,8,13,16,19-20H,1-4,6-7,9-12,14-15,17-18H2,(H,26,29).
What are the key properties of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3244146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).