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

C31H36N6O — CID 24955953

IUPAC11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
SMILES[H]/N=c1\ccc(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C31H36N6O/c32-29-22-20-28(26-17-11-8-12-18-26)36-37(29)24-14-6-4-2-1-3-5-13-19-31(38)33-30-23-21-27(34-35-30)25-15-9-7-10-16-25/h7-12,15-18,20-23,32H,1-6,13-14,19,24H2,(H,33,35,38)/b32-29+
InChIKeyNIBFQYGWDOTDRS-UUDCSCGESA-N
MW508.67 g/mol
LogP6.64
Rot. Bonds14

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

11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide (PubChem CID 24955953) has the molecular formula C31H36N6O and a molecular weight of 508.67 g/mol. Its IUPAC name is 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide.

Molecular Properties

Compound Name11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
PubChem CID24955953
Molecular FormulaC31H36N6O
Molecular Weight508.67 g/mol
Exact Mass508.30
IUPAC Name11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
SMILES[H]/N=c1\ccc(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C31H36N6O/c32-29-22-20-28(26-17-11-8-12-18-26)36-37(29)24-14-6-4-2-1-3-5-13-19-31(38)33-30-23-21-27(34-35-30)25-15-9-7-10-16-25/h7-12,15-18,20-23,32H,1-6,13-14,19,24H2,(H,33,35,38)/b32-29+
InChIKeyNIBFQYGWDOTDRS-UUDCSCGESA-N
XLogP6.64
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.64
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-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
The IUPAC name of 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide (CID 24955953) is 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide.
What is the SMILES notation for 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
The canonical SMILES for 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide is [H]/N=c1\ccc(-c2ccccc2)nn1CCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
The InChIKey is NIBFQYGWDOTDRS-UUDCSCGESA-N. The full InChI is InChI=1S/C31H36N6O/c32-29-22-20-28(26-17-11-8-12-18-26)36-37(29)24-14-6-4-2-1-3-5-13-19-31(38)33-30-23-21-27(34-35-30)25-15-9-7-10-16-25/h7-12,15-18,20-23,32H,1-6,13-14,19,24H2,(H,33,35,38)/b32-29+.
What are the key properties of 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide?
11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide has a molecular weight of 508.67 g/mol, XLogP of 6.64, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide is sourced from PubChem (CID 24955953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).