(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

C19H20N4O2 — CID 51247923

IUPAC(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C19H20N4O2/c1-3-25-16-9-5-4-8-15(16)11-12-18(24)20-14(2)19-22-21-17-10-6-7-13-23(17)19/h4-14H,3H2,1-2H3,(H,20,24)/b12-11+
InChIKeyYECYLHQPOZAMMN-VAWYXSNFSA-N
MW336.40 g/mol
LogP3.02
Rot. Bonds6

About (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (PubChem CID 51247923) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
PubChem CID51247923
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C19H20N4O2/c1-3-25-16-9-5-4-8-15(16)11-12-18(24)20-14(2)19-22-21-17-10-6-7-13-23(17)19/h4-14H,3H2,1-2H3,(H,20,24)/b12-11+
InChIKeyYECYLHQPOZAMMN-VAWYXSNFSA-N
XLogP3.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.02
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

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 134030701
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 23474166
(E)-3-(4-methylphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247809
(E)-3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247623
(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247935
2-(2-bromo-4,5-diethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030779
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51324682
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate
CID 78771685
2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81084653
3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61247353

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (CID 51247923) is (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NC(C)c1nnc2ccccn12.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The InChIKey is YECYLHQPOZAMMN-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-25-16-9-5-4-8-15(16)11-12-18(24)20-14(2)19-22-21-17-10-6-7-13-23(17)19/h4-14H,3H2,1-2H3,(H,20,24)/b12-11+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide has a molecular weight of 336.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 51247923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).