(E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide

C21H22N6O2 — CID 34442862

IUPAC(E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H22N6O2/c28-21(23-18-6-8-20(22-14-18)26-10-12-29-13-11-26)9-7-19-16-27(25-24-19)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,23,28)/b9-7+
InChIKeyRXMCPQADFKFWMS-VQHVLOKHSA-N
MW390.45 g/mol
LogP2.21
Rot. Bonds6

About (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide

(E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide (PubChem CID 34442862) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
PubChem CID34442862
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H22N6O2/c28-21(23-18-6-8-20(22-14-18)26-10-12-29-13-11-26)9-7-19-16-27(25-24-19)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,23,28)/b9-7+
InChIKeyRXMCPQADFKFWMS-VQHVLOKHSA-N
XLogP2.21
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide (CID 34442862) is (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide is O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is RXMCPQADFKFWMS-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-21(23-18-6-8-20(22-14-18)26-10-12-29-13-11-26)9-7-19-16-27(25-24-19)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,23,28)/b9-7+.
What are the key properties of (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 390.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyltriazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 34442862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).