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

C24H19F3N6O — CID 58102945

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2ccc(CC(F)(F)F)nc2)ccn1
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)12-19-5-4-17(13-29-19)15-8-9-28-21(11-15)23(34)31-18-3-1-2-16(10-18)22-32-30-14-33(22)20-6-7-20/h1-5,8-11,13-14,20H,6-7,12H2,(H,31,34)
InChIKeyKWOXVXDOTCOBNJ-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.09
Rot. Bonds6

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

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 58102945) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID58102945
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2ccc(CC(F)(F)F)nc2)ccn1
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)12-19-5-4-17(13-29-19)15-8-9-28-21(11-15)23(34)31-18-3-1-2-16(10-18)22-32-30-14-33(22)20-6-7-20/h1-5,8-11,13-14,20H,6-7,12H2,(H,31,34)
InChIKeyKWOXVXDOTCOBNJ-UHFFFAOYSA-N
XLogP5.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]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

Related Compounds

Selonsertib
CID 71245288
3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
Takeda103A
CID 11155477
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
GS-444217
CID 57504987
Roche-Dataset for PDE10A, Compound 603
CID 165368475
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(4,4,4-trifluorobutyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415066
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415070
6-cyclopropyl-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415141
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
(3R)-3-amino-1-[8-(pyridin-2-ylmethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 45263687
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 145976309

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 58102945) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2ccc(CC(F)(F)F)nc2)ccn1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KWOXVXDOTCOBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c25-24(26,27)12-19-5-4-17(13-29-19)15-8-9-28-21(11-15)23(34)31-18-3-1-2-16(10-18)22-32-30-14-33(22)20-6-7-20/h1-5,8-11,13-14,20H,6-7,12H2,(H,31,34).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 5.09, 6 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-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 58102945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).