4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide

C20H20N6O2 — CID 122289215

IUPAC4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1
InChIInChI=1S/C20H20N6O2/c1-14(27)15-2-4-16(5-3-15)20(28)23-13-12-22-18-6-7-19(26-25-18)24-17-8-10-21-11-9-17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,28)(H,21,24,26)
InChIKeySVZHCTGBVVREMZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.66
Rot. Bonds8

About 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide

4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 122289215) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID122289215
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1
InChIInChI=1S/C20H20N6O2/c1-14(27)15-2-4-16(5-3-15)20(28)23-13-12-22-18-6-7-19(26-25-18)24-17-8-10-21-11-9-17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,28)(H,21,24,26)
InChIKeySVZHCTGBVVREMZ-UHFFFAOYSA-N
XLogP2.66
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121065155
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122289061
3-fluoro-4-methoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289154
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294
2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065101
2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
1-(3,5-dimethylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065114

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (CID 122289215) is 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is CC(=O)c1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is SVZHCTGBVVREMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14(27)15-2-4-16(5-3-15)20(28)23-13-12-22-18-6-7-19(26-25-18)24-17-8-10-21-11-9-17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,28)(H,21,24,26).
What are the key properties of 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122289215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).