2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide

C11H14ClN3O2 — CID 54944221

IUPAC2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide
SMILESCC(Cl)C(=O)NC(=O)NCCc1ccncc1
InChIInChI=1S/C11H14ClN3O2/c1-8(12)10(16)15-11(17)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H2,14,15,16,17)
InChIKeyNJHORGJSADHZPU-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.08
Rot. Bonds4

About 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide

2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide (PubChem CID 54944221) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide
PubChem CID54944221
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide
SMILESCC(Cl)C(=O)NC(=O)NCCc1ccncc1
InChIInChI=1S/C11H14ClN3O2/c1-8(12)10(16)15-11(17)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H2,14,15,16,17)
InChIKeyNJHORGJSADHZPU-UHFFFAOYSA-N
XLogP1.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide 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

(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
(2S)-2-hydroxy-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 107838621
2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 106109788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide?
The IUPAC name of 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide (CID 54944221) is 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide is CC(Cl)C(=O)NC(=O)NCCc1ccncc1.
What is the InChIKey of 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide?
The InChIKey is NJHORGJSADHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8(12)10(16)15-11(17)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide?
2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide has a molecular weight of 255.71 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide is sourced from PubChem (CID 54944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).