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

C22H26N6O2 — CID 121066466

IUPAC4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1
InChIInChI=1S/C22H26N6O2/c1-2-3-15-30-19-8-6-17(7-9-19)22(29)25-14-13-24-20-10-11-21(28-27-20)26-18-5-4-12-23-16-18/h4-12,16H,2-3,13-15H2,1H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyDEPAVXNNXSSJDS-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.64
Rot. Bonds11

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

4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 121066466) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID121066466
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1
InChIInChI=1S/C22H26N6O2/c1-2-3-15-30-19-8-6-17(7-9-19)22(29)25-14-13-24-20-10-11-21(28-27-20)26-18-5-4-12-23-16-18/h4-12,16H,2-3,13-15H2,1H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyDEPAVXNNXSSJDS-UHFFFAOYSA-N
XLogP3.64
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.64
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-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122288653
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066486
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 121066468
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289366

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (CID 121066466) is 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is DEPAVXNNXSSJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-2-3-15-30-19-8-6-17(7-9-19)22(29)25-14-13-24-20-10-11-21(28-27-20)26-18-5-4-12-23-16-18/h4-12,16H,2-3,13-15H2,1H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.64, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 121066466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).