N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C15H16N2O — CID 47102790

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C15H16N2O/c1-2-15(18)17-14-5-3-12(4-6-14)11-13-7-9-16-10-8-13/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyCAYMKGXUFQXJTJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 47102790) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID47102790
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C15H16N2O/c1-2-15(18)17-14-5-3-12(4-6-14)11-13-7-9-16-10-8-13/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyCAYMKGXUFQXJTJ-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(pyridin-4-ylmethyl)phenyl]propanamide 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-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
CID 112983683
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 2992862
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
N,2-dipyridin-4-ylacetamide
CID 110468100
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
2-(butylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylideneacetamide
CID 17386378
4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508
N-(3-benzylphenyl)propanamide
CID 70797974
2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride
CID 88750812

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 47102790) is N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is CCC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is CAYMKGXUFQXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-15(18)17-14-5-3-12(4-6-14)11-13-7-9-16-10-8-13/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 240.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 47102790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).