2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide

C20H22N4OS — CID 139792331

IUPAC2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS/C(Nc1ccccc1)=C(\C#N)c1ccccn1
InChIInChI=1S/C20H22N4OS/c1-3-24(4-2)19(25)15-26-20(23-16-10-6-5-7-11-16)17(14-21)18-12-8-9-13-22-18/h5-13,23H,3-4,15H2,1-2H3/b20-17+
InChIKeyFTVCMPHCNJVSJG-LVZFUZTISA-N
MW366.49 g/mol
LogP3.99
Rot. Bonds8

About 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide

2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide (PubChem CID 139792331) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide
PubChem CID139792331
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS/C(Nc1ccccc1)=C(\C#N)c1ccccn1
InChIInChI=1S/C20H22N4OS/c1-3-24(4-2)19(25)15-26-20(23-16-10-6-5-7-11-16)17(14-21)18-12-8-9-13-22-18/h5-13,23H,3-4,15H2,1-2H3/b20-17+
InChIKeyFTVCMPHCNJVSJG-LVZFUZTISA-N
XLogP3.99
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide
CID 139792323
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095628
N',N'-diethyl-N-phenyloxamide
CID 14925038
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
CID 4114741
[2-(diethylamino)-2-oxoethyl] N-cyano-N'-(2-fluorophenyl)carbamimidothioate
CID 660825
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide (CID 139792331) is 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CS/C(Nc1ccccc1)=C(\C#N)c1ccccn1.
What is the InChIKey of 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide?
The InChIKey is FTVCMPHCNJVSJG-LVZFUZTISA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-24(4-2)19(25)15-26-20(23-16-10-6-5-7-11-16)17(14-21)18-12-8-9-13-22-18/h5-13,23H,3-4,15H2,1-2H3/b20-17+.
What are the key properties of 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide?
2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 139792331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).