N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide

C20H15F3N6O2S — CID 45255309

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)c(-n3cc(-c4cncs4)nn3)c2)cc1C(F)(F)F
InChIInChI=1S/C20H15F3N6O2S/c1-11-16(29-9-15(27-28-29)18-8-24-10-32-18)5-12(7-25-11)19(30)26-13-3-4-17(31-2)14(6-13)20(21,22)23/h3-10H,1-2H3,(H,26,30)
InChIKeyCYYMVRHJCBEIHT-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.37
Rot. Bonds5

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide (PubChem CID 45255309) has the molecular formula C20H15F3N6O2S and a molecular weight of 460.44 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide
PubChem CID45255309
Molecular FormulaC20H15F3N6O2S
Molecular Weight460.44 g/mol
Exact Mass460.09
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)c(-n3cc(-c4cncs4)nn3)c2)cc1C(F)(F)F
InChIInChI=1S/C20H15F3N6O2S/c1-11-16(29-9-15(27-28-29)18-8-24-10-32-18)5-12(7-25-11)19(30)26-13-3-4-17(31-2)14(6-13)20(21,22)23/h3-10H,1-2H3,(H,26,30)
InChIKeyCYYMVRHJCBEIHT-UHFFFAOYSA-N
XLogP4.37
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide (CID 45255309) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cnc(C)c(-n3cc(-c4cncs4)nn3)c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide?
The InChIKey is CYYMVRHJCBEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2S/c1-11-16(29-9-15(27-28-29)18-8-24-10-32-18)5-12(7-25-11)19(30)26-13-3-4-17(31-2)14(6-13)20(21,22)23/h3-10H,1-2H3,(H,26,30).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(1,3-thiazol-5-yl)triazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 45255309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).