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

C16H18ClN3O — CID 109021790

IUPAC3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C16H18ClN3O/c17-15-5-3-13(4-6-15)10-19-9-7-16(21)20-12-14-2-1-8-18-11-14/h1-6,8,11,19H,7,9-10,12H2,(H,20,21)
InChIKeyGNUQLNOKGGXOAP-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.53
Rot. Bonds7

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

3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109021790) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109021790
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C16H18ClN3O/c17-15-5-3-13(4-6-15)10-19-9-7-16(21)20-12-14-2-1-8-18-11-14/h1-6,8,11,19H,7,9-10,12H2,(H,20,21)
InChIKeyGNUQLNOKGGXOAP-UHFFFAOYSA-N
XLogP2.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.53
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-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119127097
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
N-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023700
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 109021790) is 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCNCc1ccc(Cl)cc1)NCc1cccnc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GNUQLNOKGGXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-15-5-3-13(4-6-15)10-19-9-7-16(21)20-12-14-2-1-8-18-11-14/h1-6,8,11,19H,7,9-10,12H2,(H,20,21).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide?
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109021790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).