N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C21H29N3OS — CID 146656983

About N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 146656983) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 146656983
• Molecular Formula: C21H29N3OS
• Molecular Weight: 371.55 g/mol
• Exact Mass: 371.20
• IUPAC Name: N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• SMILES: CCCCc1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(C)C3)nc1
• InChI: InChI=1S/C21H29N3OS/c1-5-6-7-15-8-9-17(22-11-15)12-23-21(25)18-10-16-13-24(4)19(14(2)3)20(16)26-18/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,23,25)
• InChIKey: WCJMVAOZVIXJDC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.55
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 146656983) is N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

What is the SMILES notation for N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The canonical SMILES for N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CCCCc1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(C)C3)nc1.

What is the InChIKey of N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is WCJMVAOZVIXJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-5-6-7-15-8-9-17(22-11-15)12-23-21(25)18-10-16-13-24(4)19(14(2)3)20(16)26-18/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,23,25).

What are the key properties of N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-butyl-2-pyridinyl)methyl]-5-methyl-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 146656983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).