N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C13H6F3N3O2S — CID 123784382

IUPACN-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NC(=O)c2cnccc2C(F)(F)F)s1
InChIInChI=1S/C13H6F3N3O2S/c14-13(15,16)9-3-4-18-6-8(9)11(20)19-12(21)10-2-1-7(5-17)22-10/h1-4,6H,(H,19,20,21)
InChIKeyXVZSWSXDVPGHGV-UHFFFAOYSA-N
MW325.27 g/mol
LogP2.60
Rot. Bonds2

About N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 123784382) has the molecular formula C13H6F3N3O2S and a molecular weight of 325.27 g/mol. Its IUPAC name is N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID123784382
Molecular FormulaC13H6F3N3O2S
Molecular Weight325.27 g/mol
Exact Mass325.01
IUPAC NameN-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NC(=O)c2cnccc2C(F)(F)F)s1
InChIInChI=1S/C13H6F3N3O2S/c14-13(15,16)9-3-4-18-6-8(9)11(20)19-12(21)10-2-1-7(5-17)22-10/h1-4,6H,(H,19,20,21)
InChIKeyXVZSWSXDVPGHGV-UHFFFAOYSA-N
XLogP2.60
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 123784382) is N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide is N#Cc1ccc(C(=O)NC(=O)c2cnccc2C(F)(F)F)s1.
What is the InChIKey of N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XVZSWSXDVPGHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O2S/c14-13(15,16)9-3-4-18-6-8(9)11(20)19-12(21)10-2-1-7(5-17)22-10/h1-4,6H,(H,19,20,21).
What are the key properties of N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 325.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123784382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).