1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H14F3N3OS — CID 67339573

IUPAC1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCC(=Nn2c(-c3cccs3)cc(C(F)(F)F)c(C#N)c2=O)C1
InChIInChI=1S/C17H14F3N3OS/c1-10-4-5-11(7-10)22-23-14(15-3-2-6-25-15)8-13(17(18,19)20)12(9-21)16(23)24/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyLCZXUYPZUGWZEP-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.49
Rot. Bonds2

About 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 67339573) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID67339573
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCC(=Nn2c(-c3cccs3)cc(C(F)(F)F)c(C#N)c2=O)C1
InChIInChI=1S/C17H14F3N3OS/c1-10-4-5-11(7-10)22-23-14(15-3-2-6-25-15)8-13(17(18,19)20)12(9-21)16(23)24/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyLCZXUYPZUGWZEP-UHFFFAOYSA-N
XLogP4.49
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 67339573) is 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCC(=Nn2c(-c3cccs3)cc(C(F)(F)F)c(C#N)c2=O)C1.
What is the InChIKey of 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LCZXUYPZUGWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-10-4-5-11(7-10)22-23-14(15-3-2-6-25-15)8-13(17(18,19)20)12(9-21)16(23)24/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 365.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentylidene)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 67339573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).