N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide

C22H24ClN3O2 — CID 57405946

IUPACN-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1
InChIInChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyIJPARVQEYUOEFX-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.05
Rot. Bonds4

About N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide

N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide (PubChem CID 57405946) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide
PubChem CID57405946
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1
InChIInChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyIJPARVQEYUOEFX-UHFFFAOYSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-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-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide (CID 57405946) is N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1.
What is the InChIKey of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide?
The InChIKey is IJPARVQEYUOEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide?
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 57405946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).