3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

C15H14N2O2 — CID 102234841

IUPAC3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CC(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C15H14N2O2/c18-14(12-6-2-1-3-7-12)10-15(19)17-11-13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)
InChIKeyWNFCXFIUGOLXQW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.97
Rot. Bonds5

About 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 102234841) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID102234841
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CC(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C15H14N2O2/c18-14(12-6-2-1-3-7-12)10-15(19)17-11-13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)
InChIKeyWNFCXFIUGOLXQW-UHFFFAOYSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (CID 102234841) is 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is O=C(CC(=O)c1ccccc1)NCc1ccccn1.
What is the InChIKey of 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WNFCXFIUGOLXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14(12-6-2-1-3-7-12)10-15(19)17-11-13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19).
What are the key properties of 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 102234841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).