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

C17H15N5O — CID 37217320

IUPAC(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccncc1
InChIInChI=1S/C17H15N5O/c23-17(19-15-8-10-18-11-9-15)7-6-16-13-22(21-20-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,18,19,23)/b7-6+
InChIKeyLIIMCEIBXCWFBZ-VOTSOKGWSA-N
MW305.34 g/mol
LogP2.37
Rot. Bonds5

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

(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 37217320) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide
PubChem CID37217320
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccncc1
InChIInChI=1S/C17H15N5O/c23-17(19-15-8-10-18-11-9-15)7-6-16-13-22(21-20-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,18,19,23)/b7-6+
InChIKeyLIIMCEIBXCWFBZ-VOTSOKGWSA-N
XLogP2.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-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

(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide
CID 9071736
(E)-3-(1-benzyltriazol-4-yl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 26688818
(E)-3-(1-benzyltriazol-4-yl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 9072731
(E)-3-(1-benzyltriazol-4-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 9070523
(E)-3-(1-benzyltriazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072642
(E)-3-(1-benzyltriazol-4-yl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26692197
(E)-3-(1-benzyltriazol-4-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 26690687
(E)-3-(1-benzyltriazol-4-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 26689597
(E)-3-(1-benzyltriazol-4-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 43013706
(E)-3-(1-benzyltriazol-4-yl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 26687426
(E)-3-(1-benzyltriazol-4-yl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 26688838
1-[[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]amino]-3-(3-chlorophenyl)thiourea
CID 9088040

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide (CID 37217320) is (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccncc1.
What is the InChIKey of (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is LIIMCEIBXCWFBZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(19-15-8-10-18-11-9-15)7-6-16-13-22(21-20-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,18,19,23)/b7-6+.
What are the key properties of (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 37217320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).