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

C19H16F3N3O — CID 67338702

IUPAC1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCC1=Nn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O
InChIInChI=1S/C19H16F3N3O/c1-12-6-5-9-16(12)24-25-17(13-7-3-2-4-8-13)10-15(19(20,21)22)14(11-23)18(25)26/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyGJZBJIAODAYTQC-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.43
Rot. Bonds2

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

1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 67338702) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID67338702
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCC1=Nn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O
InChIInChI=1S/C19H16F3N3O/c1-12-6-5-9-16(12)24-25-17(13-7-3-2-4-8-13)10-15(19(20,21)22)14(11-23)18(25)26/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyGJZBJIAODAYTQC-UHFFFAOYSA-N
XLogP4.43
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 67338702) is 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCCC1=Nn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O.
What is the InChIKey of 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is GJZBJIAODAYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-6-5-9-16(12)24-25-17(13-7-3-2-4-8-13)10-15(19(20,21)22)14(11-23)18(25)26/h2-4,7-8,10,12H,5-6,9H2,1H3.
What are the key properties of 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 359.35 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopentylidene)amino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 67338702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).