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

C16H20N6O — CID 122288891

IUPAC2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESO=C(CC1CC1)NCCNc1ccc(Nc2ccccn2)nn1
InChIInChI=1S/C16H20N6O/c23-16(11-12-4-5-12)19-10-9-18-14-6-7-15(22-21-14)20-13-3-1-2-8-17-13/h1-3,6-8,12H,4-5,9-11H2,(H,18,21)(H,19,23)(H,17,20,22)
InChIKeyIROIAIKAAGVTRN-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.94
Rot. Bonds8

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

2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122288891) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122288891
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESO=C(CC1CC1)NCCNc1ccc(Nc2ccccn2)nn1
InChIInChI=1S/C16H20N6O/c23-16(11-12-4-5-12)19-10-9-18-14-6-7-15(22-21-14)20-13-3-1-2-8-17-13/h1-3,6-8,12H,4-5,9-11H2,(H,18,21)(H,19,23)(H,17,20,22)
InChIKeyIROIAIKAAGVTRN-UHFFFAOYSA-N
XLogP1.94
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.94
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

2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064857
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919
2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288837
2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288924
1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064952
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
1-naphthalen-2-yl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064948
3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide
CID 122314111
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 42111816
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 122288891) is 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is O=C(CC1CC1)NCCNc1ccc(Nc2ccccn2)nn1.
What is the InChIKey of 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is IROIAIKAAGVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(11-12-4-5-12)19-10-9-18-14-6-7-15(22-21-14)20-13-3-1-2-8-17-13/h1-3,6-8,12H,4-5,9-11H2,(H,18,21)(H,19,23)(H,17,20,22).
What are the key properties of 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122288891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).