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

C22H29N3OS — CID 118787629

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

N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118787629) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118787629
• Molecular Formula: C22H29N3OS
• Molecular Weight: 383.56 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)N(CC)CC4CC4)csc3C2)nc1
• InChI: InChI=1S/C22H29N3OS/c1-3-16-7-8-18(23-11-16)13-24-10-9-19-20(15-27-21(19)14-24)22(26)25(4-2)12-17-5-6-17/h7-8,11,15,17H,3-6,9-10,12-14H2,1-2H3
• InChIKey: ULCQQBPHLDAXGF-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.56
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118787629) is N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N(CC)CC4CC4)csc3C2)nc1.

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

The InChIKey is ULCQQBPHLDAXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-3-16-7-8-18(23-11-16)13-24-10-9-19-20(15-27-21(19)14-24)22(26)25(4-2)12-17-5-6-17/h7-8,11,15,17H,3-6,9-10,12-14H2,1-2H3.

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

N-(cyclopropylmethyl)-N-ethyl-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 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118787629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).