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

C15H14N2O2 — CID 102234842

IUPAC3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(=O)c1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H14N2O2/c18-14(13-6-2-1-3-7-13)9-15(19)17-11-12-5-4-8-16-10-12/h1-8,10H,9,11H2,(H,17,19)
InChIKeyQQHNGTKFYXLNOF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.97
Rot. Bonds5

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

3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 102234842) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID102234842
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(=O)c1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H14N2O2/c18-14(13-6-2-1-3-7-13)9-15(19)17-11-12-5-4-8-16-10-12/h1-8,10H,9,11H2,(H,17,19)
InChIKeyQQHNGTKFYXLNOF-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

3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
(3-oxo-3-phenylpropyl) N-(pyridin-3-ylmethyl)carbamodithioate
CID 138552987
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
N-[(4-aminophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110483777
3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 102234842) is 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is O=C(CC(=O)c1ccccc1)NCc1cccnc1.
What is the InChIKey of 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QQHNGTKFYXLNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14(13-6-2-1-3-7-13)9-15(19)17-11-12-5-4-8-16-10-12/h1-8,10H,9,11H2,(H,17,19).
What are the key properties of 3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
3-oxo-3-phenyl-N-(pyridin-3-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-3-ylmethyl)propanamide is sourced from PubChem (CID 102234842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).