2-phenyl-3-pyrimidin-2-ylprop-2-enamide

C13H11N3O — CID 138629332

IUPAC2-phenyl-3-pyrimidin-2-ylprop-2-enamide
SMILESNC(=O)C(=Cc1ncccn1)c1ccccc1
InChIInChI=1S/C13H11N3O/c14-13(17)11(10-5-2-1-3-6-10)9-12-15-7-4-8-16-12/h1-9H,(H2,14,17)
InChIKeyXBYWKLHNCPRSIZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.50
Rot. Bonds3

About 2-phenyl-3-pyrimidin-2-ylprop-2-enamide

2-phenyl-3-pyrimidin-2-ylprop-2-enamide (PubChem CID 138629332) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-phenyl-3-pyrimidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-phenyl-3-pyrimidin-2-ylprop-2-enamide
PubChem CID138629332
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-phenyl-3-pyrimidin-2-ylprop-2-enamide
SMILESNC(=O)C(=Cc1ncccn1)c1ccccc1
InChIInChI=1S/C13H11N3O/c14-13(17)11(10-5-2-1-3-6-10)9-12-15-7-4-8-16-12/h1-9H,(H2,14,17)
InChIKeyXBYWKLHNCPRSIZ-UHFFFAOYSA-N
XLogP1.50
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
3-amino-3-oxo-2-phenylprop-1-ene-1-sulfonic acid
CID 141302392
(E)-3-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-phenylprop-2-enamide
CID 130176995
(2E,4E)-2-phenylhexa-2,4-dienamide
CID 173390067
(E)-3-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylprop-2-enamide
CID 18400956
2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69376729
(Z)-3-(2-methylhydrazinyl)-2-phenylprop-2-enamide
CID 153392907
3-[4-(methanesulfonamido)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylprop-2-enamide
CID 69376767
3-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylprop-2-enamide
CID 73433751
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyrimidin-2-ylprop-2-enamide?
The IUPAC name of 2-phenyl-3-pyrimidin-2-ylprop-2-enamide (CID 138629332) is 2-phenyl-3-pyrimidin-2-ylprop-2-enamide.
What is the SMILES notation for 2-phenyl-3-pyrimidin-2-ylprop-2-enamide?
The canonical SMILES for 2-phenyl-3-pyrimidin-2-ylprop-2-enamide is NC(=O)C(=Cc1ncccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-pyrimidin-2-ylprop-2-enamide?
The InChIKey is XBYWKLHNCPRSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-13(17)11(10-5-2-1-3-6-10)9-12-15-7-4-8-16-12/h1-9H,(H2,14,17).
What are the key properties of 2-phenyl-3-pyrimidin-2-ylprop-2-enamide?
2-phenyl-3-pyrimidin-2-ylprop-2-enamide has a molecular weight of 225.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-pyrimidin-2-ylprop-2-enamide is sourced from PubChem (CID 138629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).