(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide

C24H21N5O — CID 17471292

IUPAC(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C24H21N5O/c30-24(15-14-22-19-28(27-26-22)17-20-9-3-1-4-10-20)29(23-13-7-8-16-25-23)18-21-11-5-2-6-12-21/h1-16,19H,17-18H2/b15-14+
InChIKeyQGGUVURFVYRRFS-CCEZHUSRSA-N
MW395.47 g/mol
LogP3.97
Rot. Bonds7

About (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide

(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 17471292) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide
PubChem CID17471292
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C24H21N5O/c30-24(15-14-22-19-28(27-26-22)17-20-9-3-1-4-10-20)29(23-13-7-8-16-25-23)18-21-11-5-2-6-12-21/h1-16,19H,17-18H2/b15-14+
InChIKeyQGGUVURFVYRRFS-CCEZHUSRSA-N
XLogP3.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Imidazopyridine 18a
CID 5329351
2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134133501
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
2-[5-(3-methylphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134141231
N-(5-phenylpyridin-2-yl)-2-[4-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]triazol-1-yl]acetamide
CID 134148381
2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide
CID 134154594
N-(5-phenylpyridin-2-yl)-2-[5-phenyl-4-[2-(trifluoromethyl)pyridin-4-yl]triazol-1-yl]acetamide
CID 134157809
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
CID 11515006
N-cyclohexyl-N-methyl-4-(pyridin-3-yl)-1H-imidazole-1-carboxamide
CID 66554294
2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134138814
2-[4-(3-methyl-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134145164

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide (CID 17471292) is (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is QGGUVURFVYRRFS-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(15-14-22-19-28(27-26-22)17-20-9-3-1-4-10-20)29(23-13-7-8-16-25-23)18-21-11-5-2-6-12-21/h1-16,19H,17-18H2/b15-14+.
What are the key properties of (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 395.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 17471292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).