2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide

C16H13FN4OS — CID 139792323

IUPAC2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide
SMILESN#C/C(=C(/Nc1cccc(F)c1)SCC(N)=O)c1ccccn1
InChIInChI=1S/C16H13FN4OS/c17-11-4-3-5-12(8-11)21-16(23-10-15(19)22)13(9-18)14-6-1-2-7-20-14/h1-8,21H,10H2,(H2,19,22)/b16-13+
InChIKeyRJHVHQVWZMQUDC-DTQAZKPQSA-N
MW328.37 g/mol
LogP2.74
Rot. Bonds6

About 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide

2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide (PubChem CID 139792323) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide
PubChem CID139792323
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide
SMILESN#C/C(=C(/Nc1cccc(F)c1)SCC(N)=O)c1ccccn1
InChIInChI=1S/C16H13FN4OS/c17-11-4-3-5-12(8-11)21-16(23-10-15(19)22)13(9-18)14-6-1-2-7-20-14/h1-8,21H,10H2,(H2,19,22)/b16-13+
InChIKeyRJHVHQVWZMQUDC-DTQAZKPQSA-N
XLogP2.74
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
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)-1-anilino-2-cyano-2-pyridin-2-ylethenyl]sulfanyl-N,N-diethylacetamide
CID 139792331
(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 142601724
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
N-(3-fluorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81407084
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
N-(3-fluorophenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373414
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide?
The IUPAC name of 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide (CID 139792323) is 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide.
What is the SMILES notation for 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide?
The canonical SMILES for 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide is N#C/C(=C(/Nc1cccc(F)c1)SCC(N)=O)c1ccccn1.
What is the InChIKey of 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide?
The InChIKey is RJHVHQVWZMQUDC-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-11-4-3-5-12(8-11)21-16(23-10-15(19)22)13(9-18)14-6-1-2-7-20-14/h1-8,21H,10H2,(H2,19,22)/b16-13+.
What are the key properties of 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide?
2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide has a molecular weight of 328.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide is sourced from PubChem (CID 139792323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).