(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide

C17H16N4O — CID 17439947

IUPAC(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2nnc3ccccn23)cc1
InChIInChI=1S/C17H16N4O/c1-13-5-7-14(8-6-13)9-10-17(22)18-12-16-20-19-15-4-2-3-11-21(15)16/h2-11H,12H2,1H3,(H,18,22)/b10-9+
InChIKeyDYQMVZZQEURQMW-MDZDMXLPSA-N
MW292.34 g/mol
LogP2.37
Rot. Bonds4

About (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 17439947) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
PubChem CID17439947
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2nnc3ccccn23)cc1
InChIInChI=1S/C17H16N4O/c1-13-5-7-14(8-6-13)9-10-17(22)18-12-16-20-19-15-4-2-3-11-21(15)16/h2-11H,12H2,1H3,(H,18,22)/b10-9+
InChIKeyDYQMVZZQEURQMW-MDZDMXLPSA-N
XLogP2.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9020986
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
(E)-3-(4-methylphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247809
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9021192
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
1-(4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiourea
CID 9215691
3-acetamido-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 46448914
(3R)-3-acetamido-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 27840794
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 18775377
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 92519341
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide (CID 17439947) is (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2nnc3ccccn23)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is DYQMVZZQEURQMW-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-5-7-14(8-6-13)9-10-17(22)18-12-16-20-19-15-4-2-3-11-21(15)16/h2-11H,12H2,1H3,(H,18,22)/b10-9+.
What are the key properties of (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 17439947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).