(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide

C19H18N4O2 — CID 75473558

IUPAC(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1CCc2nnc(-c3ccccc3)n2C1
InChIInChI=1S/C19H18N4O2/c24-18(11-9-16-7-4-12-25-16)20-15-8-10-17-21-22-19(23(17)13-15)14-5-2-1-3-6-14/h1-7,9,11-12,15H,8,10,13H2,(H,20,24)/b11-9+
InChIKeyCEJBDWVTHVDATM-PKNBQFBNSA-N
MW334.38 g/mol
LogP2.68
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide (PubChem CID 75473558) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
PubChem CID75473558
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1CCc2nnc(-c3ccccc3)n2C1
InChIInChI=1S/C19H18N4O2/c24-18(11-9-16-7-4-12-25-16)20-15-8-10-17-21-22-19(23(17)13-15)14-5-2-1-3-6-14/h1-7,9,11-12,15H,8,10,13H2,(H,20,24)/b11-9+
InChIKeyCEJBDWVTHVDATM-PKNBQFBNSA-N
XLogP2.68
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide with MolForge

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Related Compounds

(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 95594085
(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 126855424
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868546
5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide
CID 97342704
1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 97342736
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 97346541
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
CID 91809810

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide (CID 75473558) is (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NC1CCc2nnc(-c3ccccc3)n2C1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide?
The InChIKey is CEJBDWVTHVDATM-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(11-9-16-7-4-12-25-16)20-15-8-10-17-21-22-19(23(17)13-15)14-5-2-1-3-6-14/h1-7,9,11-12,15H,8,10,13H2,(H,20,24)/b11-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide has a molecular weight of 334.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide is sourced from PubChem (CID 75473558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).