N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide

C20H22F3N3O2S — CID 55973061

About N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 55973061) has the molecular formula C20H22F3N3O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide
• PubChem CID: 55973061
• Molecular Formula: C20H22F3N3O2S
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.14
• IUPAC Name: N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide
• SMILES: Cc1c(C(=O)N2CCCC(C(=O)NCC3CC3)C2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C20H22F3N3O2S/c1-11-14-6-7-15(20(21,22)23)25-18(14)29-16(11)19(28)26-8-2-3-13(10-26)17(27)24-9-12-4-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,24,27)
• InChIKey: VKNUWLKIXZIHBK-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide (CID 55973061) is N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(=O)NCC3CC3)C2)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

The InChIKey is VKNUWLKIXZIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2S/c1-11-14-6-7-15(20(21,22)23)25-18(14)29-16(11)19(28)26-8-2-3-13(10-26)17(27)24-9-12-4-5-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,24,27).

What are the key properties of N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55973061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).