2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C19H20N4O3 — CID 9021118

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESC/C=C/c1ccc(OCC(=O)NCc2nnc3ccccn23)c(OC)c1
InChIInChI=1S/C19H20N4O3/c1-3-6-14-8-9-15(16(11-14)25-2)26-13-19(24)20-12-18-22-21-17-7-4-5-10-23(17)18/h3-11H,12-13H2,1-2H3,(H,20,24)/b6-3+
InChIKeyALXNXLZOINJCQN-ZZXKWVIFSA-N
MW352.39 g/mol
LogP2.47
Rot. Bonds7

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 9021118) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID9021118
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESC/C=C/c1ccc(OCC(=O)NCc2nnc3ccccn23)c(OC)c1
InChIInChI=1S/C19H20N4O3/c1-3-6-14-8-9-15(16(11-14)25-2)26-13-19(24)20-12-18-22-21-17-7-4-5-10-23(17)18/h3-11H,12-13H2,1-2H3,(H,20,24)/b6-3+
InChIKeyALXNXLZOINJCQN-ZZXKWVIFSA-N
XLogP2.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
3-methoxy-4-prop-2-enoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848760
3-(3-ethoxy-4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 78810296
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(2-nitrophenyl)methyl]acetamide
CID 87004905
2-[4-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697881
N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 120650568
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71853828
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71702040

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 9021118) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is C/C=C/c1ccc(OCC(=O)NCc2nnc3ccccn23)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is ALXNXLZOINJCQN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-6-14-8-9-15(16(11-14)25-2)26-13-19(24)20-12-18-22-21-17-7-4-5-10-23(17)18/h3-11H,12-13H2,1-2H3,(H,20,24)/b6-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 9021118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).