[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone

C17H20N4O — CID 109111436

IUPAC[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C17H20N4O/c1-3-12(2)18-16-9-8-14(19-20-16)17(22)21-11-10-13-6-4-5-7-15(13)21/h4-9,12H,3,10-11H2,1-2H3,(H,18,20)
InChIKeyVBWFEDOHOUPDQM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.89
Rot. Bonds4

About [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone

[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109111436) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109111436
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCc3ccccc32)nn1
InChIInChI=1S/C17H20N4O/c1-3-12(2)18-16-9-8-14(19-20-16)17(22)21-11-10-13-6-4-5-7-15(13)21/h4-9,12H,3,10-11H2,1-2H3,(H,18,20)
InChIKeyVBWFEDOHOUPDQM-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109111518
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109122223
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109111436) is [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone is CCC(C)Nc1ccc(C(=O)N2CCc3ccccc32)nn1.
What is the InChIKey of [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is VBWFEDOHOUPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-12(2)18-16-9-8-14(19-20-16)17(22)21-11-10-13-6-4-5-7-15(13)21/h4-9,12H,3,10-11H2,1-2H3,(H,18,20).
What are the key properties of [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109111436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).