1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C16H12F3N3OS — CID 59099051

IUPAC1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N=C2CCCC2)c1=O
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)12-8-13(14-6-3-7-24-14)22(15(23)11(12)9-20)21-10-4-1-2-5-10/h3,6-8H,1-2,4-5H2
InChIKeyDPFKJSCFOPNSPY-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.25
Rot. Bonds2

About 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 59099051) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID59099051
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N=C2CCCC2)c1=O
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)12-8-13(14-6-3-7-24-14)22(15(23)11(12)9-20)21-10-4-1-2-5-10/h3,6-8H,1-2,4-5H2
InChIKeyDPFKJSCFOPNSPY-UHFFFAOYSA-N
XLogP4.25
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
1-Amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2728505
4,6-Dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile
CID 5395410
1-[(E)-(2-methylcyclohexylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59098973
1-[(E)-(2-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59098997
1-[(4-Ethylcyclohexylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59099025
2-oxo-1-[(E)-1-phenylethylideneamino]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59099080
1-(Cyclohexylideneamino)-3-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 59099164
1-[(4-Tert-butylcyclohexylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59099165
1-[(Z)-(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59099278
1-[(4-Methylcyclohexylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59099354
1-[(2-Methylcyclohexylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339114

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 59099051) is 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N=C2CCCC2)c1=O.
What is the InChIKey of 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DPFKJSCFOPNSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)12-8-13(14-6-3-7-24-14)22(15(23)11(12)9-20)21-10-4-1-2-5-10/h3,6-8H,1-2,4-5H2.
What are the key properties of 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 351.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 59099051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).