N-[phenyl(pyridin-3-yl)methyl]acetamide

C14H14N2O — CID 542029

IUPACN-[phenyl(pyridin-3-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c1-11(17)16-14(12-6-3-2-4-7-12)13-8-5-9-15-10-13/h2-10,14H,1H3,(H,16,17)
InChIKeyHABUOKHHUUMQPB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.31
Rot. Bonds3

About N-[phenyl(pyridin-3-yl)methyl]acetamide

N-[phenyl(pyridin-3-yl)methyl]acetamide (PubChem CID 542029) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[phenyl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-3-yl)methyl]acetamide
PubChem CID542029
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[phenyl(pyridin-3-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c1-11(17)16-14(12-6-3-2-4-7-12)13-8-5-9-15-10-13/h2-10,14H,1H3,(H,16,17)
InChIKeyHABUOKHHUUMQPB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[phenyl(pyridin-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[phenyl(pyridin-3-yl)methyl]acetamide (CID 542029) is N-[phenyl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[phenyl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[phenyl(pyridin-3-yl)methyl]acetamide is CC(=O)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of N-[phenyl(pyridin-3-yl)methyl]acetamide?
The InChIKey is HABUOKHHUUMQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(17)16-14(12-6-3-2-4-7-12)13-8-5-9-15-10-13/h2-10,14H,1H3,(H,16,17).
What are the key properties of N-[phenyl(pyridin-3-yl)methyl]acetamide?
N-[phenyl(pyridin-3-yl)methyl]acetamide has a molecular weight of 226.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 542029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).