1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide

C22H32N8O4 — CID 4842604

IUPAC1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(=O)n(C)n3)CC2)ccc1=O
InChIInChI=1S/C22H32N8O4/c1-27-19(31)7-5-17(25-27)21(33)23-9-3-11-29-13-15-30(16-14-29)12-4-10-24-22(34)18-6-8-20(32)28(2)26-18/h5-8H,3-4,9-16H2,1-2H3,(H,23,33)(H,24,34)
InChIKeyJXDOCFAXPKNBNM-UHFFFAOYSA-N
MW472.55 g/mol
LogP-1.57
Rot. Bonds10

About 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide (PubChem CID 4842604) has the molecular formula C22H32N8O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide
PubChem CID4842604
Molecular FormulaC22H32N8O4
Molecular Weight472.55 g/mol
Exact Mass472.25
IUPAC Name1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(=O)n(C)n3)CC2)ccc1=O
InChIInChI=1S/C22H32N8O4/c1-27-19(31)7-5-17(25-27)21(33)23-9-3-11-29-13-15-30(16-14-29)12-4-10-24-22(34)18-6-8-20(32)28(2)26-18/h5-8H,3-4,9-16H2,1-2H3,(H,23,33)(H,24,34)
InChIKeyJXDOCFAXPKNBNM-UHFFFAOYSA-N
XLogP-1.57
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide (CID 4842604) is 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(=O)n(C)n3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is JXDOCFAXPKNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O4/c1-27-19(31)7-5-17(25-27)21(33)23-9-3-11-29-13-15-30(16-14-29)12-4-10-24-22(34)18-6-8-20(32)28(2)26-18/h5-8H,3-4,9-16H2,1-2H3,(H,23,33)(H,24,34).
What are the key properties of 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of -1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[4-[3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propyl]piperazin-1-yl]propyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 4842604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).