2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide

C18H17N3O2 — CID 60620136

IUPAC2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(/C=C(/C#N)c2ccccn2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-20-18(22)13-23-16-8-6-14(7-9-16)11-15(12-19)17-5-3-4-10-21-17/h3-11H,2,13H2,1H3,(H,20,22)/b15-11-
InChIKeyLWYLOYGDZHJYRX-PTNGSMBKSA-N
MW307.35 g/mol
LogP2.66
Rot. Bonds6

About 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide

2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide (PubChem CID 60620136) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide
PubChem CID60620136
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(/C=C(/C#N)c2ccccn2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-20-18(22)13-23-16-8-6-14(7-9-16)11-15(12-19)17-5-3-4-10-21-17/h3-11H,2,13H2,1H3,(H,20,22)/b15-11-
InChIKeyLWYLOYGDZHJYRX-PTNGSMBKSA-N
XLogP2.66
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-pentoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 75849804
(E)-3-[4-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 74766491
[4-(2-cyano-2-pyridin-2-ylethenyl)phenyl] 3,5-dichlorobenzoate
CID 2826008
2-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 7946812
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
2-cyano-3-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 76879710
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 7480568
2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
CID 21375367
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
(E)-3-(3-propan-2-yloxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 47448589
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetamide
CID 17385722

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide (CID 60620136) is 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(/C=C(/C#N)c2ccccn2)cc1.
What is the InChIKey of 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide?
The InChIKey is LWYLOYGDZHJYRX-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-20-18(22)13-23-16-8-6-14(7-9-16)11-15(12-19)17-5-3-4-10-21-17/h3-11H,2,13H2,1H3,(H,20,22)/b15-11-.
What are the key properties of 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide?
2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 60620136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).