N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane

C24H32N4OS — CID 143487902

About N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane

N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane (PubChem CID 143487902) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane
• PubChem CID: 143487902
• Molecular Formula: C24H32N4OS
• Molecular Weight: 424.61 g/mol
• Exact Mass: 424.23
• IUPAC Name: N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane
• SMILES: CCC.[H]/N=C/N(CC(=O)c1sc2nccc(N(C)C)c2c1C)C1=CC=C(C)C=CC1
• InChI: InChI=1S/C21H24N4OS.C3H8/c1-14-6-5-7-16(9-8-14)25(13-22)12-18(26)20-15(2)19-17(24(3)4)10-11-23-21(19)27-20;1-3-2/h5-6,8-11,13,22H,7,12H2,1-4H3;3H2,1-2H3/b22-13+
• InChIKey: DVXUDVZSVIXEDA-PNAHYYPNSA-N
• XLogP: 5.97
• TPSA: 60.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.61
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane?

The IUPAC name of N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane (CID 143487902) is N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane.

What is the SMILES notation for N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane?

The canonical SMILES for N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane is CCC.[H]/N=C/N(CC(=O)c1sc2nccc(N(C)C)c2c1C)C1=CC=C(C)C=CC1.

What is the InChIKey of N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane?

The InChIKey is DVXUDVZSVIXEDA-PNAHYYPNSA-N. The full InChI is InChI=1S/C21H24N4OS.C3H8/c1-14-6-5-7-16(9-8-14)25(13-22)12-18(26)20-15(2)19-17(24(3)4)10-11-23-21(19)27-20;1-3-2/h5-6,8-11,13,22H,7,12H2,1-4H3;3H2,1-2H3/b22-13+;.

What are the key properties of N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane?

N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane has a molecular weight of 424.61 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)-3-methylthieno[2,3-b]pyridin-2-yl]-2-oxoethyl]-N-(4-methylcyclohepta-1,3,5-trien-1-yl)methanimidamide;propane is sourced from PubChem (CID 143487902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).