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

C14H14N2O — CID 653424

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C14H14N2O/c1-11(17)16-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-9H,10H2,1H3,(H,16,17)
InChIKeyPJZVXHILLZKMEX-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds3

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

N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 653424) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]acetamide
PubChem CID653424
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C14H14N2O/c1-11(17)16-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-9H,10H2,1H3,(H,16,17)
InChIKeyPJZVXHILLZKMEX-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Milrinone
CID 4197
Ximelegatran
CID 448042
Lanicemine
CID 9794203
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
N-(4-pyridyl)benzamide
CID 78893
4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
MS 857
CID 129517
N-Pyridin-4-ylacetamide
CID 21288
3-Phenyl-4-propylpyridine
CID 104638
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
Y-27632 dihydrochloride
CID 9901617

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 653424) is N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is CC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The InChIKey is PJZVXHILLZKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(17)16-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide has a molecular weight of 226.28 g/mol, XLogP of 2.63, 3 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]acetamide is sourced from PubChem (CID 653424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).