3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H13F3N2O2S — CID 51113674

IUPAC3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NOCc2ccccc2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C17H13F3N2O2S/c1-10-12-7-8-13(17(18,19)20)21-16(12)25-14(10)15(23)22-24-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,22,23)
InChIKeyHPPSTXLURIHFRD-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.49
Rot. Bonds4

About 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 51113674) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID51113674
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NOCc2ccccc2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C17H13F3N2O2S/c1-10-12-7-8-13(17(18,19)20)21-16(12)25-14(10)15(23)22-24-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,22,23)
InChIKeyHPPSTXLURIHFRD-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
4-methyl-4-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 119357367
2-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 120516988
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55779329
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119575709
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 51113674) is 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NOCc2ccccc2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HPPSTXLURIHFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-10-12-7-8-13(17(18,19)20)21-16(12)25-14(10)15(23)22-24-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 51113674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).