N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C17H14F3N5O2 — CID 99695730

IUPACN-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cn1
InChIInChI=1S/C17H14F3N5O2/c1-24(13-6-7-15(27-2)21-9-13)16(26)14-10-25(23-22-14)12-5-3-4-11(8-12)17(18,19)20/h3-10H,1-2H3
InChIKeyGAJYBKLHFMVKEV-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.97
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 99695730) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID99695730
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cn1
InChIInChI=1S/C17H14F3N5O2/c1-24(13-6-7-15(27-2)21-9-13)16(26)14-10-25(23-22-14)12-5-3-4-11(8-12)17(18,19)20/h3-10H,1-2H3
InChIKeyGAJYBKLHFMVKEV-UHFFFAOYSA-N
XLogP2.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-2H-triazole-4-carboxamide
CID 71544130
N-[3-(1,1-difluoroethyl)phenyl]-1-(6-methoxypyridin-3-yl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 139443085
[1-(Cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 24818854
5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 46830095
5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide
CID 46830096
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883830
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883831
N-ethyl-1-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 46883832
N-(6-methoxy-3-pyridinyl)-N-methyl-5-(2-methylphenyl)pyrazine-2-carboxamide
CID 46884414
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)pyrazine-2-carboxamide
CID 46884437
N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 46884438
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)pyrazine-2-carboxamide
CID 46884439

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 99695730) is N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is COc1ccc(N(C)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is GAJYBKLHFMVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-24(13-6-7-15(27-2)21-9-13)16(26)14-10-25(23-22-14)12-5-3-4-11(8-12)17(18,19)20/h3-10H,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 99695730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).