5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide

C35H38Cl2N8O4 — CID 67549118

About 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide

5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 67549118) has the molecular formula C35H38Cl2N8O4 and a molecular weight of 705.65 g/mol. Its IUPAC name is 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
• PubChem CID: 67549118
• Molecular Formula: C35H38Cl2N8O4
• Molecular Weight: 705.65 g/mol
• Exact Mass: 704.24
• IUPAC Name: 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
• SMILES: CCn1nc(-c2cccc(-c3cc(C(=O)NCCN4CCCCC4)cc(C(=O)N(C)C)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
• InChI: InChI=1S/C35H38Cl2N8O4/c1-4-45-34(48)30(40-35(49)41-31-27(36)20-38-21-28(31)37)19-29(42-45)23-10-8-9-22(15-23)24-16-25(18-26(17-24)33(47)43(2)3)32(46)39-11-14-44-12-6-5-7-13-44/h8-10,15-21H,4-7,11-14H2,1-3H3,(H,39,46)(H2,38,40,41,49)
• InChIKey: QAGFUVKQDWMQEV-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 141.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.65
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide?

The IUPAC name of 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide (CID 67549118) is 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide?

The canonical SMILES for 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide is CCn1nc(-c2cccc(-c3cc(C(=O)NCCN4CCCCC4)cc(C(=O)N(C)C)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O.

What is the InChIKey of 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide?

The InChIKey is QAGFUVKQDWMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38Cl2N8O4/c1-4-45-34(48)30(40-35(49)41-31-27(36)20-38-21-28(31)37)19-29(42-45)23-10-8-9-22(15-23)24-16-25(18-26(17-24)33(47)43(2)3)32(46)39-11-14-44-12-6-5-7-13-44/h8-10,15-21H,4-7,11-14H2,1-3H3,(H,39,46)(H2,38,40,41,49).

What are the key properties of 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide?

5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 705.65 g/mol, XLogP of 5.86, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 67549118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).