4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide

C18H20ClN3O2 — CID 4881401

IUPAC4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H20ClN3O2/c1-3-12(2)16(18(24)21-15-5-4-10-20-11-15)22-17(23)13-6-8-14(19)9-7-13/h4-12,16H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXNUYSWVWSVWZHC-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.52
Rot. Bonds6

About 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide (PubChem CID 4881401) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide
PubChem CID4881401
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H20ClN3O2/c1-3-12(2)16(18(24)21-15-5-4-10-20-11-15)22-17(23)13-6-8-14(19)9-7-13/h4-12,16H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXNUYSWVWSVWZHC-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide 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-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide (CID 4881401) is 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide?
The InChIKey is XNUYSWVWSVWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-12(2)16(18(24)21-15-5-4-10-20-11-15)22-17(23)13-6-8-14(19)9-7-13/h4-12,16H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 4881401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).