3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide

C17H20ClN3O — CID 109023792

IUPAC3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCNCCc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C17H20ClN3O/c18-16-3-1-14(2-4-16)5-9-20-12-8-17(22)21-13-15-6-10-19-11-7-15/h1-4,6-7,10-11,20H,5,8-9,12-13H2,(H,21,22)
InChIKeyUCDDNYWWRQKVEP-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.57
Rot. Bonds8

About 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide

3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 109023792) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID109023792
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCNCCc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C17H20ClN3O/c18-16-3-1-14(2-4-16)5-9-20-12-8-17(22)21-13-15-6-10-19-11-7-15/h1-4,6-7,10-11,20H,5,8-9,12-13H2,(H,21,22)
InChIKeyUCDDNYWWRQKVEP-UHFFFAOYSA-N
XLogP2.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide (CID 109023792) is 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide is O=C(CCNCCc1ccc(Cl)cc1)NCc1ccncc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is UCDDNYWWRQKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-16-3-1-14(2-4-16)5-9-20-12-8-17(22)21-13-15-6-10-19-11-7-15/h1-4,6-7,10-11,20H,5,8-9,12-13H2,(H,21,22).
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide?
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 109023792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).