4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide

C30H33N7O5 — CID 171347552

About 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide

4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 171347552) has the molecular formula C30H33N7O5 and a molecular weight of 571.64 g/mol. Its IUPAC name is 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
• PubChem CID: 171347552
• Molecular Formula: C30H33N7O5
• Molecular Weight: 571.64 g/mol
• Exact Mass: 571.25
• IUPAC Name: 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCC3)cc2)c1OC
• InChI: InChI=1S/C30H33N7O5/c1-31-30(41)25-23(16-24(36-37-25)35-28(39)18-10-11-18)34-22-9-5-8-21(26(22)42-2)29(40)33-20-14-12-19(13-15-20)32-27(38)17-6-3-4-7-17/h5,8-9,12-18H,3-4,6-7,10-11H2,1-2H3,(H,31,41)(H,32,38)(H,33,40)(H2,34,35,36,39)
• InChIKey: PQYXVPVBGMNEHU-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 163.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.64
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?

The IUPAC name of 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide (CID 171347552) is 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCC3)cc2)c1OC.

What is the InChIKey of 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?

The InChIKey is PQYXVPVBGMNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O5/c1-31-30(41)25-23(16-24(36-37-25)35-28(39)18-10-11-18)34-22-9-5-8-21(26(22)42-2)29(40)33-20-14-12-19(13-15-20)32-27(38)17-6-3-4-7-17/h5,8-9,12-18H,3-4,6-7,10-11H2,1-2H3,(H,31,41)(H,32,38)(H,33,40)(H2,34,35,36,39).

What are the key properties of 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?

4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 571.64 g/mol, XLogP of 4.32, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 171347552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).