2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide

C19H15N3O — CID 4121626

IUPAC2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
SMILESO=C(Nc1ncccn1)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N3O/c23-18(22-19-20-12-7-13-21-19)17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-14H,(H,20,21,22,23)
InChIKeyQUJPVMNMBHRCEU-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.66
Rot. Bonds4

About 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide

2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide (PubChem CID 4121626) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
PubChem CID4121626
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
SMILESO=C(Nc1ncccn1)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N3O/c23-18(22-19-20-12-7-13-21-19)17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-14H,(H,20,21,22,23)
InChIKeyQUJPVMNMBHRCEU-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
CID 889937
N-pyrimidin-2-ylbenzamide
CID 638481
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide?
The IUPAC name of 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide (CID 4121626) is 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide.
What is the SMILES notation for 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide?
The canonical SMILES for 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide is O=C(Nc1ncccn1)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide?
The InChIKey is QUJPVMNMBHRCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-18(22-19-20-12-7-13-21-19)17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-14H,(H,20,21,22,23).
What are the key properties of 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide?
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide is sourced from PubChem (CID 4121626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).