3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C15H16N2O — CID 871256

IUPAC3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1ccccc1)NCc1ccncc1
InChIInChI=1S/C15H16N2O/c18-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-16-11-9-14/h1-5,8-11H,6-7,12H2,(H,17,18)
InChIKeyMWAXHPDONZDMRJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.33
Rot. Bonds5

About 3-phenyl-N-(pyridin-4-ylmethyl)propanamide

3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 871256) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID871256
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1ccccc1)NCc1ccncc1
InChIInChI=1S/C15H16N2O/c18-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-16-11-9-14/h1-5,8-11H,6-7,12H2,(H,17,18)
InChIKeyMWAXHPDONZDMRJ-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 871256) is 3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-phenyl-N-(pyridin-4-ylmethyl)propanamide is O=C(CCc1ccccc1)NCc1ccncc1.
What is the InChIKey of 3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is MWAXHPDONZDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-16-11-9-14/h1-5,8-11H,6-7,12H2,(H,17,18).
What are the key properties of 3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 871256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).