N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C17H13F3N4O2S — CID 166163058

IUPACN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H13F3N4O2S/c1-9-6-12(10-4-3-5-11(7-10)17(18,19)20)13(8-21-9)14(25)22-15-23-24-16(26-2)27-15/h3-8H,1-2H3,(H,22,23,25)
InChIKeyMLIQFRLPXIUBEW-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.19
Rot. Bonds4

About N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 166163058) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID166163058
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H13F3N4O2S/c1-9-6-12(10-4-3-5-11(7-10)17(18,19)20)13(8-21-9)14(25)22-15-23-24-16(26-2)27-15/h3-8H,1-2H3,(H,22,23,25)
InChIKeyMLIQFRLPXIUBEW-UHFFFAOYSA-N
XLogP4.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
4-(3,5-dimethylphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162955
4-(3-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163397
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163114
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinolin-3-ylpyridine-3-carboxamide
CID 166163457
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide
CID 166162977
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 166163091
4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163398
4-[3-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-1-[4-[5-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-4-pyridinyl]naphthalen-1-yl]-6-methylpyridin-1-ium-3-carboxamide
CID 166163304
4-(6-cyano-4-methyl-3-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163220
4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163152
4-(2-acetyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163081

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 166163058) is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1nnc(NC(=O)c2cnc(C)cc2-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MLIQFRLPXIUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c1-9-6-12(10-4-3-5-11(7-10)17(18,19)20)13(8-21-9)14(25)22-15-23-24-16(26-2)27-15/h3-8H,1-2H3,(H,22,23,25).
What are the key properties of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 166163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).