11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide

C32H38N6O — CID 59097967

IUPAC11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
SMILES[H]/N=c1\cc(C)c(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C32H38N6O/c1-25-24-29(33)38(37-32(25)27-18-12-9-13-19-27)23-15-7-5-3-2-4-6-14-20-31(39)34-30-22-21-28(35-36-30)26-16-10-8-11-17-26/h8-13,16-19,21-22,24,33H,2-7,14-15,20,23H2,1H3,(H,34,36,39)/b33-29+
InChIKeyMUJCZJVKOYVBGB-XPXRSFDGSA-N
MW522.70 g/mol
LogP6.94
Rot. Bonds14

About 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide

11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide (PubChem CID 59097967) has the molecular formula C32H38N6O and a molecular weight of 522.70 g/mol. Its IUPAC name is 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide.

Molecular Properties

Compound Name11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
PubChem CID59097967
Molecular FormulaC32H38N6O
Molecular Weight522.70 g/mol
Exact Mass522.31
IUPAC Name11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
SMILES[H]/N=c1\cc(C)c(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C32H38N6O/c1-25-24-29(33)38(37-32(25)27-18-12-9-13-19-27)23-15-7-5-3-2-4-6-14-20-31(39)34-30-22-21-28(35-36-30)26-16-10-8-11-17-26/h8-13,16-19,21-22,24,33H,2-7,14-15,20,23H2,1H3,(H,34,36,39)/b33-29+
InChIKeyMUJCZJVKOYVBGB-XPXRSFDGSA-N
XLogP6.94
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
The IUPAC name of 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide (CID 59097967) is 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide.
What is the SMILES notation for 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
The canonical SMILES for 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide is [H]/N=c1\cc(C)c(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
The InChIKey is MUJCZJVKOYVBGB-XPXRSFDGSA-N. The full InChI is InChI=1S/C32H38N6O/c1-25-24-29(33)38(37-32(25)27-18-12-9-13-19-27)23-15-7-5-3-2-4-6-14-20-31(39)34-30-22-21-28(35-36-30)26-16-10-8-11-17-26/h8-13,16-19,21-22,24,33H,2-7,14-15,20,23H2,1H3,(H,34,36,39)/b33-29+.
What are the key properties of 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide has a molecular weight of 522.70 g/mol, XLogP of 6.94, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-imino-4-methyl-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide is sourced from PubChem (CID 59097967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).