N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C21H21F3N4O2S — CID 146453336

IUPACN-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(OC3CCN(c4cccc(C)n4)CC3)nc12
InChIInChI=1S/C21H21F3N4O2S/c1-12-4-3-5-16(26-12)28-8-6-13(7-9-28)30-17-10-15(21(22,23)24)19-18(27-17)14(11-31-19)20(29)25-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,25,29)
InChIKeyJVHSCRCJZXIZKK-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.43
Rot. Bonds4

About N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146453336) has the molecular formula C21H21F3N4O2S and a molecular weight of 450.49 g/mol. Its IUPAC name is N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID146453336
Molecular FormulaC21H21F3N4O2S
Molecular Weight450.49 g/mol
Exact Mass450.13
IUPAC NameN-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(OC3CCN(c4cccc(C)n4)CC3)nc12
InChIInChI=1S/C21H21F3N4O2S/c1-12-4-3-5-16(26-12)28-8-6-13(7-9-28)30-17-10-15(21(22,23)24)19-18(27-17)14(11-31-19)20(29)25-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,25,29)
InChIKeyJVHSCRCJZXIZKK-UHFFFAOYSA-N
XLogP4.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146453336) is N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1csc2c(C(F)(F)F)cc(OC3CCN(c4cccc(C)n4)CC3)nc12.
What is the InChIKey of N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is JVHSCRCJZXIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2S/c1-12-4-3-5-16(26-12)28-8-6-13(7-9-28)30-17-10-15(21(22,23)24)19-18(27-17)14(11-31-19)20(29)25-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,25,29).
What are the key properties of N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146453336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).