N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

C17H18ClN3O2 — CID 108948946

IUPACN-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-21(11-8-13-6-9-19-10-7-13)17(23)12-16(22)20-15-5-3-2-4-14(15)18/h2-7,9-10H,8,11-12H2,1H3,(H,20,22)
InChIKeyUPJKYJNOVKWAFK-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.76
Rot. Bonds6

About N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108948946) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108948946
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-21(11-8-13-6-9-19-10-7-13)17(23)12-16(22)20-15-5-3-2-4-14(15)18/h2-7,9-10H,8,11-12H2,1H3,(H,20,22)
InChIKeyUPJKYJNOVKWAFK-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948933
ethyl 2-[[3-[methyl(2-pyridin-4-ylethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108949017
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108948946) is N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is CN(CCc1ccncc1)C(=O)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is UPJKYJNOVKWAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-21(11-8-13-6-9-19-10-7-13)17(23)12-16(22)20-15-5-3-2-4-14(15)18/h2-7,9-10H,8,11-12H2,1H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 331.80 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108948946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).