N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide

C15H18N6O — CID 122289299

IUPACN-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)C1CC1
InChIInChI=1S/C15H18N6O/c22-15(11-3-4-11)18-9-8-17-13-5-6-14(21-20-13)19-12-2-1-7-16-10-12/h1-2,5-7,10-11H,3-4,8-9H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyAEFXMFZVGCIBCJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.55
Rot. Bonds7

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

N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 122289299) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
PubChem CID122289299
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)C1CC1
InChIInChI=1S/C15H18N6O/c22-15(11-3-4-11)18-9-8-17-13-5-6-14(21-20-13)19-12-2-1-7-16-10-12/h1-2,5-7,10-11H,3-4,8-9H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyAEFXMFZVGCIBCJ-UHFFFAOYSA-N
XLogP1.55
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066486
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289366
1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122289421
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 121066468
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122289354
2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121066481
3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122289361
5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289324
1-(6-anilinopyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 117084317
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122289528
N-[[5-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122289533

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide (CID 122289299) is N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1ccc(Nc2cccnc2)nn1)C1CC1.
What is the InChIKey of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is AEFXMFZVGCIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(11-3-4-11)18-9-8-17-13-5-6-14(21-20-13)19-12-2-1-7-16-10-12/h1-2,5-7,10-11H,3-4,8-9H2,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 122289299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).