2-phenyl-N-(pyridin-3-ylmethyl)acetamide

C14H14N2O — CID 1089285

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1)NCc1cccnc1
InChIInChI=1S/C14H14N2O/c17-14(9-12-5-2-1-3-6-12)16-11-13-7-4-8-15-10-13/h1-8,10H,9,11H2,(H,16,17)
InChIKeyVGRNSVUSFJEXLM-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.94
Rot. Bonds4

About 2-phenyl-N-(pyridin-3-ylmethyl)acetamide

2-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1089285) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1089285
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1)NCc1cccnc1
InChIInChI=1S/C14H14N2O/c17-14(9-12-5-2-1-3-6-12)16-11-13-7-4-8-15-10-13/h1-8,10H,9,11H2,(H,16,17)
InChIKeyVGRNSVUSFJEXLM-UHFFFAOYSA-N
XLogP1.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 1089285) is 2-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccccc1)NCc1cccnc1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VGRNSVUSFJEXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(9-12-5-2-1-3-6-12)16-11-13-7-4-8-15-10-13/h1-8,10H,9,11H2,(H,16,17).
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
2-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 226.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1089285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).