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

C14H16F3N3OS — CID 120831160

IUPAC3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(C)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C
InChIInChI=1S/C14H16F3N3OS/c1-7(18-3)6-19-12(21)11-8(2)9-4-5-10(14(15,16)17)20-13(9)22-11/h4-5,7,18H,6H2,1-3H3,(H,19,21)
InChIKeyJPEWUVPODLYBMF-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.96
Rot. Bonds4

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

3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 120831160) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID120831160
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC Name3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(C)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C
InChIInChI=1S/C14H16F3N3OS/c1-7(18-3)6-19-12(21)11-8(2)9-4-5-10(14(15,16)17)20-13(9)22-11/h4-5,7,18H,6H2,1-3H3,(H,19,21)
InChIKeyJPEWUVPODLYBMF-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115408972
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
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-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
3-amino-N-ethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79880499
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 120831160) is 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CNC(C)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C.
What is the InChIKey of 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JPEWUVPODLYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-7(18-3)6-19-12(21)11-8(2)9-4-5-10(14(15,16)17)20-13(9)22-11/h4-5,7,18H,6H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 120831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).