2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide

C16H19N3O — CID 108997033

IUPAC2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(CNCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-13-2-4-14(5-3-13)10-18-12-16(20)19-11-15-6-8-17-9-7-15/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyJLNNEMCUPJRSML-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.80
Rot. Bonds6

About 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 108997033) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID108997033
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(CNCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-13-2-4-14(5-3-13)10-18-12-16(20)19-11-15-6-8-17-9-7-15/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyJLNNEMCUPJRSML-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide 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

2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
CID 108992941
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108995048

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 108997033) is 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(CNCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is JLNNEMCUPJRSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-2-4-14(5-3-13)10-18-12-16(20)19-11-15-6-8-17-9-7-15/h2-9,18H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 108997033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).