(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide

C19H19FN4O — CID 23474073

IUPAC(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
SMILESCC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1nnc2ccccn12
InChIInChI=1S/C19H19FN4O/c1-13(2)18(19-23-22-16-5-3-4-12-24(16)19)21-17(25)11-8-14-6-9-15(20)10-7-14/h3-13,18H,1-2H3,(H,21,25)/b11-8+/t18-/m0/s1
InChIKeyRDOVJESIHRXIIH-MZEUMTGBSA-N
MW338.39 g/mol
LogP3.40
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide (PubChem CID 23474073) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
PubChem CID23474073
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
SMILESCC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1nnc2ccccn12
InChIInChI=1S/C19H19FN4O/c1-13(2)18(19-23-22-16-5-3-4-12-24(16)19)21-17(25)11-8-14-6-9-15(20)10-7-14/h3-13,18H,1-2H3,(H,21,25)/b11-8+/t18-/m0/s1
InChIKeyRDOVJESIHRXIIH-MZEUMTGBSA-N
XLogP3.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]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

Related Compounds

(E)-3-(4-methylphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247809
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279
1-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-[(Z)-3-phenylprop-2-enyl]urea
CID 97359222
(E)-3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247623
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247935
(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 8927995
(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]prop-2-enamide
CID 86876214
(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247923
1-(4-bromo-2-fluorophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154280
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide (CID 23474073) is (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide is CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1nnc2ccccn12.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide?
The InChIKey is RDOVJESIHRXIIH-MZEUMTGBSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13(2)18(19-23-22-16-5-3-4-12-24(16)19)21-17(25)11-8-14-6-9-15(20)10-7-14/h3-13,18H,1-2H3,(H,21,25)/b11-8+/t18-/m0/s1.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide has a molecular weight of 338.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide is sourced from PubChem (CID 23474073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).