N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen

C69H80N12O8S2 — CID 177171025

About N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen

N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen (PubChem CID 177171025) has the molecular formula C69H80N12O8S2 and a molecular weight of 1269.61 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen
• PubChem CID: 177171025
• Molecular Formula: C69H80N12O8S2
• Molecular Weight: 1269.61 g/mol
• Exact Mass: 1268.57
• IUPAC Name: N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen
• SMILES: CC.CC.CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCc4cccnn4)C3)ccc2o1.CN(CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCc4nncs4)C3)ccc2o1)C(=O)c1cc2ccc(C3=CCCN(C(=O)CCc4nccs4)C3)cc2[nH]1.[H][H]
• InChI: InChI=1S/C42H42N8O5S2.C23H24N4O3.2C2H6.H2/c1-47(41(53)34-21-29-8-7-28(20-33(29)45-34)31-6-4-17-50(24-31)39(51)13-11-37-43-15-18-56-37)26-48(2)42(54)36-22-32-19-27(9-10-35(32)55-36)30-5-3-16-49(23-30)40(52)14-12-38-46-44-25-57-38;1-26(2)23(29)21-14-18-13-16(7-9-20(18)30-21)17-5-4-12-27(15-17)22(28)10-8-19-6-3-11-24-25-19;2*1-2;/h5-10,15,18-22,25,45H,3-4,11-14,16-17,23-24,26H2,1-2H3;3,5-7,9,11,13-14H,4,8,10,12,15H2,1-2H3;2*1-2H3;1H
• InChIKey: XXVHCCSXDZPGRU-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 228.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.61
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen?

The IUPAC name of N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen (CID 177171025) is N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen?

The canonical SMILES for N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen is CC.CC.CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCc4cccnn4)C3)ccc2o1.CN(CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCc4nncs4)C3)ccc2o1)C(=O)c1cc2ccc(C3=CCCN(C(=O)CCc4nccs4)C3)cc2[nH]1.[H][H].

What is the InChIKey of N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen?

The InChIKey is XXVHCCSXDZPGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N8O5S2.C23H24N4O3.2C2H6.H2/c1-47(41(53)34-21-29-8-7-28(20-33(29)45-34)31-6-4-17-50(24-31)39(51)13-11-37-43-15-18-56-37)26-48(2)42(54)36-22-32-19-27(9-10-35(32)55-36)30-5-3-16-49(23-30)40(52)14-12-38-46-44-25-57-38;1-26(2)23(29)21-14-18-13-16(7-9-20(18)30-21)17-5-4-12-27(15-17)22(28)10-8-19-6-3-11-24-25-19;2*1-2;/h5-10,15,18-22,25,45H,3-4,11-14,16-17,23-24,26H2,1-2H3;3,5-7,9,11,13-14H,4,8,10,12,15H2,1-2H3;2*1-2H3;1H.

What are the key properties of N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen?

N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen has a molecular weight of 1269.61 g/mol, XLogP of 11.99, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[1-(3-pyridazin-3-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide;ethane;N-methyl-N-[[methyl-[5-[1-[3-(1,3,4-thiadiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carbonyl]amino]methyl]-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 177171025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).