N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide

C23H17F3N6O — CID 58102984

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cccnc2)cc(C(F)(F)F)n1
InChIInChI=1S/C23H17F3N6O/c24-23(25,26)20-11-16(15-4-2-8-27-12-15)10-19(30-20)22(33)29-17-5-1-3-14(9-17)21-31-28-13-32(21)18-6-7-18/h1-5,8-13,18H,6-7H2,(H,29,33)
InChIKeyWZOKIKOXWFAJPO-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.01
Rot. Bonds5

About N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58102984) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58102984
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cccnc2)cc(C(F)(F)F)n1
InChIInChI=1S/C23H17F3N6O/c24-23(25,26)20-11-16(15-4-2-8-27-12-15)10-19(30-20)22(33)29-17-5-1-3-14(9-17)21-31-28-13-32(21)18-6-7-18/h1-5,8-13,18H,6-7H2,(H,29,33)
InChIKeyWZOKIKOXWFAJPO-UHFFFAOYSA-N
XLogP5.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide (CID 58102984) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cccnc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WZOKIKOXWFAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c24-23(25,26)20-11-16(15-4-2-8-27-12-15)10-19(30-20)22(33)29-17-5-1-3-14(9-17)21-31-28-13-32(21)18-6-7-18/h1-5,8-13,18H,6-7H2,(H,29,33).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58102984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).