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

C25H23F3N6O — CID 166690905

IUPACN-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(CC(F)(F)F)nc3)ccn2)c1
InChIInChI=1S/C25H23F3N6O/c1-3-16(2)34-15-31-33-23(34)18-5-4-6-20(11-18)32-24(35)22-12-17(9-10-29-22)19-7-8-21(30-14-19)13-25(26,27)28/h4-12,14-16H,3,13H2,1-2H3,(H,32,35)
InChIKeySBOOSNQEEUPJHF-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.73
Rot. Bonds7

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

N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 166690905) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID166690905
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC NameN-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(CC(F)(F)F)nc3)ccn2)c1
InChIInChI=1S/C25H23F3N6O/c1-3-16(2)34-15-31-33-23(34)18-5-4-6-20(11-18)32-24(35)22-12-17(9-10-29-22)19-7-8-21(30-14-19)13-25(26,27)28/h4-12,14-16H,3,13H2,1-2H3,(H,32,35)
InChIKeySBOOSNQEEUPJHF-UHFFFAOYSA-N
XLogP5.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58103009
N-[3-[4-[(1S)-1-cyclopropylethyl]-1,2,4-triazol-3-yl]phenyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
CID 58102998
4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58103028
4-[6-(cyclobutylmethyl)-3-pyridinyl]-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 158914878
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-methylpropylsulfanyl)-3-pyridinyl]pyridine-2-carboxamide;N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-methylsulfanyl-3-pyridinyl)pyridine-2-carboxamide
CID 118450802
N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 71184092
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 166690926

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butan-2-yl-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-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 166690905) is N-[3-(4-butan-2-yl-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-butan-2-yl-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-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide is CCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(CC(F)(F)F)nc3)ccn2)c1.
What is the InChIKey of N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is SBOOSNQEEUPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-3-16(2)34-15-31-33-23(34)18-5-4-6-20(11-18)32-24(35)22-12-17(9-10-29-22)19-7-8-21(30-14-19)13-25(26,27)28/h4-12,14-16H,3,13H2,1-2H3,(H,32,35).
What are the key properties of N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide?
N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 166690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).