2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide

C17H20ClN3O — CID 109165043

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O/c1-2-9-21-17(22)14-8-11-20-16(12-14)19-10-7-13-3-5-15(18)6-4-13/h3-6,8,11-12H,2,7,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyUDXRCHGIBAVYCZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.53
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide

2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide (PubChem CID 109165043) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
PubChem CID109165043
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O/c1-2-9-21-17(22)14-8-11-20-16(12-14)19-10-7-13-3-5-15(18)6-4-13/h3-6,8,11-12H,2,7,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyUDXRCHGIBAVYCZ-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide 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-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
[2-[2-(4-chlorophenyl)ethylamino]-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168648
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide (CID 109165043) is 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccnc(NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide?
The InChIKey is UDXRCHGIBAVYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-9-21-17(22)14-8-11-20-16(12-14)19-10-7-13-3-5-15(18)6-4-13/h3-6,8,11-12H,2,7,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 109165043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).