N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide

C18H21ClN2O2 — CID 56789343

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide
SMILESCCN(C(=O)CCOC)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C18H21ClN2O2/c1-3-21(17(22)11-13-23-2)18(16-6-4-5-12-20-16)14-7-9-15(19)10-8-14/h4-10,12,18H,3,11,13H2,1-2H3
InChIKeyPRYOKBYOQOCOET-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.71
Rot. Bonds7

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide (PubChem CID 56789343) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide
PubChem CID56789343
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide
SMILESCCN(C(=O)CCOC)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C18H21ClN2O2/c1-3-21(17(22)11-13-23-2)18(16-6-4-5-12-20-16)14-7-9-15(19)10-8-14/h4-10,12,18H,3,11,13H2,1-2H3
InChIKeyPRYOKBYOQOCOET-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide 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-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide (CID 56789343) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide is CCN(C(=O)CCOC)C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide?
The InChIKey is PRYOKBYOQOCOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-21(17(22)11-13-23-2)18(16-6-4-5-12-20-16)14-7-9-15(19)10-8-14/h4-10,12,18H,3,11,13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide has a molecular weight of 332.83 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-3-methoxypropanamide is sourced from PubChem (CID 56789343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).