4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide

C20H15F3N4O2 — CID 18126368

IUPAC4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c2ccccc12
InChIInChI=1S/C20H15F3N4O2/c1-29-16-8-7-15(13-4-2-3-5-14(13)16)19(28)24-10-18-26-25-17-9-6-12(11-27(17)18)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyMFAUYXCJIQMTTF-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.84
Rot. Bonds4

About 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide

4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 18126368) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID18126368
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c2ccccc12
InChIInChI=1S/C20H15F3N4O2/c1-29-16-8-7-15(13-4-2-3-5-14(13)16)19(28)24-10-18-26-25-17-9-6-12(11-27(17)18)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyMFAUYXCJIQMTTF-UHFFFAOYSA-N
XLogP3.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18126361
3-fluoro-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18126370
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 18126415
2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 18126347
2-methyl-3-nitro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 16960785
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 31315011
3,5-bis(trifluoromethyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 16571785
2-(4-phenylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 24523382
2-bromo-5-fluoro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18228112
3,5-dimethyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 18100268
5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 18126401

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide (CID 18126368) is 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide is COc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c2ccccc12.
What is the InChIKey of 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is MFAUYXCJIQMTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-29-16-8-7-15(13-4-2-3-5-14(13)16)19(28)24-10-18-26-25-17-9-6-12(11-27(17)18)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide?
4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 18126368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).