6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C20H24ClN3O2 — CID 71093504

IUPAC6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIInChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)22-4)24-18(25)16-11-10-13(3)17(23-16)14-8-7-9-15(21)12-14/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyTVKBISAMPHOPDL-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.75
Rot. Bonds6

About 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71093504) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71093504
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIInChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)22-4)24-18(25)16-11-10-13(3)17(23-16)14-8-7-9-15(21)12-14/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyTVKBISAMPHOPDL-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]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 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71093504) is 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(C)c(-c2cccc(Cl)c2)n1)C(=O)NC.
What is the InChIKey of 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is TVKBISAMPHOPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)22-4)24-18(25)16-11-10-13(3)17(23-16)14-8-7-9-15(21)12-14/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25).
What are the key properties of 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).