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

C22H22F3N5O — CID 139349881

IUPAC4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C22H22F3N5O/c1-13(8-20-29-26-12-30(20)2)15-4-3-5-17(9-15)27-21(31)18-10-16(14-6-7-14)11-19(28-18)22(23,24)25/h3-5,9-14H,6-8H2,1-2H3,(H,27,31)/t13-/m1/s1
InChIKeyWFTILDXTYWLQKY-CYBMUJFWSA-N
MW429.45 g/mol
LogP4.70
Rot. Bonds6

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

4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 139349881) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID139349881
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C22H22F3N5O/c1-13(8-20-29-26-12-30(20)2)15-4-3-5-17(9-15)27-21(31)18-10-16(14-6-7-14)11-19(28-18)22(23,24)25/h3-5,9-14H,6-8H2,1-2H3,(H,27,31)/t13-/m1/s1
InChIKeyWFTILDXTYWLQKY-CYBMUJFWSA-N
XLogP4.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-hydroxyethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350184
N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139360877
4-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350563
4-(3-fluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350561
6-(4-methyl-3-oxopiperazin-1-yl)-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]isoquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 139350041
4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350370
4-(2-hydroxyethyl)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164869488
3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide
CID 175234190
6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide
CID 139360970
6-cyclopropyl-5-[[2-[2-[2-[2-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]methyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 155626934
4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164869406
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62103619

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 139349881) is 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C3CC3)cc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WFTILDXTYWLQKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-13(8-20-29-26-12-30(20)2)15-4-3-5-17(9-15)27-21(31)18-10-16(14-6-7-14)11-19(28-18)22(23,24)25/h3-5,9-14H,6-8H2,1-2H3,(H,27,31)/t13-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139349881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).