N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C22H29N3OS — CID 126429959

About N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 126429959) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 126429959
• Molecular Formula: C22H29N3OS
• Molecular Weight: 383.56 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CC4(C)C)csc3C2)nc1
• InChI: InChI=1S/C22H29N3OS/c1-4-15-5-6-17(23-10-15)12-25-8-7-18-19(14-27-20(18)13-25)21(26)24-11-16-9-22(16,2)3/h5-6,10,14,16H,4,7-9,11-13H2,1-3H3,(H,24,26)/t16-/m0/s1
• InChIKey: LFNKLVFKDUOBHZ-INIZCTEOSA-N
• XLogP: 4.04
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.56
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 126429959) is N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CC4(C)C)csc3C2)nc1.

What is the InChIKey of N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is LFNKLVFKDUOBHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-4-15-5-6-17(23-10-15)12-25-8-7-18-19(14-27-20(18)13-25)21(26)24-11-16-9-22(16,2)3/h5-6,10,14,16H,4,7-9,11-13H2,1-3H3,(H,24,26)/t16-/m0/s1.

What are the key properties of N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 383.56 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R)-2,2-dimethylcyclopropyl]methyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 126429959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).