N-(2-methyl-5-pyridin-4-ylphenyl)acetamide

C14H14N2O — CID 71934327

IUPACN-(2-methyl-5-pyridin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccncc2)ccc1C
InChIInChI=1S/C14H14N2O/c1-10-3-4-13(9-14(10)16-11(2)17)12-5-7-15-8-6-12/h3-9H,1-2H3,(H,16,17)
InChIKeyDLXCERSXHABQIF-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.02
Rot. Bonds2

About N-(2-methyl-5-pyridin-4-ylphenyl)acetamide

N-(2-methyl-5-pyridin-4-ylphenyl)acetamide (PubChem CID 71934327) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-methyl-5-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-pyridin-4-ylphenyl)acetamide
PubChem CID71934327
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(2-methyl-5-pyridin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccncc2)ccc1C
InChIInChI=1S/C14H14N2O/c1-10-3-4-13(9-14(10)16-11(2)17)12-5-7-15-8-6-12/h3-9H,1-2H3,(H,16,17)
InChIKeyDLXCERSXHABQIF-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-(2-methyl-5-pyridin-4-ylphenyl)acetamide (CID 71934327) is N-(2-methyl-5-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(2-methyl-5-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-(2-methyl-5-pyridin-4-ylphenyl)acetamide is CC(=O)Nc1cc(-c2ccncc2)ccc1C.
What is the InChIKey of N-(2-methyl-5-pyridin-4-ylphenyl)acetamide?
The InChIKey is DLXCERSXHABQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-3-4-13(9-14(10)16-11(2)17)12-5-7-15-8-6-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2-methyl-5-pyridin-4-ylphenyl)acetamide?
N-(2-methyl-5-pyridin-4-ylphenyl)acetamide has a molecular weight of 226.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 71934327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).