(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide

C19H15N5O — CID 55908015

IUPAC(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C19H15N5O/c20-11-16-6-2-1-5-15(16)9-10-19(25)23-18-8-4-3-7-17(18)12-24-14-21-13-22-24/h1-10,13-14H,12H2,(H,23,25)/b10-9+
InChIKeyPWKFSYRAMPNTCT-MDZDMXLPSA-N
MW329.36 g/mol
LogP2.85
Rot. Bonds5

About (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide

(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide (PubChem CID 55908015) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide
PubChem CID55908015
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)Nc1ccccc1Cn1cncn1
InChIInChI=1S/C19H15N5O/c20-11-16-6-2-1-5-15(16)9-10-19(25)23-18-8-4-3-7-17(18)12-24-14-21-13-22-24/h1-10,13-14H,12H2,(H,23,25)/b10-9+
InChIKeyPWKFSYRAMPNTCT-MDZDMXLPSA-N
XLogP2.85
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
(E)-N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-3-(2-cyanophenyl)prop-2-enamide
CID 49183838
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51095084
2-(1,2,4-triazol-1-ylmethylamino)benzonitrile
CID 778507
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119861390
2-(4-bromophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907752

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide (CID 55908015) is (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide is N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1Cn1cncn1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is PWKFSYRAMPNTCT-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H15N5O/c20-11-16-6-2-1-5-15(16)9-10-19(25)23-18-8-4-3-7-17(18)12-24-14-21-13-22-24/h1-10,13-14H,12H2,(H,23,25)/b10-9+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55908015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).