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

C18H22N4O — CID 109111518

IUPAC[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2c3ccccc3CC2C)nn1
InChIInChI=1S/C18H22N4O/c1-4-12(2)19-17-10-9-15(20-21-17)18(23)22-13(3)11-14-7-5-6-8-16(14)22/h5-10,12-13H,4,11H2,1-3H3,(H,19,21)
InChIKeyHRKAZDOXYOXGFW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds4

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

[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109111518) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109111518
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2c3ccccc3CC2C)nn1
InChIInChI=1S/C18H22N4O/c1-4-12(2)19-17-10-9-15(20-21-17)18(23)22-13(3)11-14-7-5-6-8-16(14)22/h5-10,12-13H,4,11H2,1-3H3,(H,19,21)
InChIKeyHRKAZDOXYOXGFW-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
[6-(cyclohexylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109112959
[6-(2-ethoxyanilino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109129448
[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109119714
[6-(furan-2-ylmethylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109117496
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109120246
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109051597

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109111518) is [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CCC(C)Nc1ccc(C(=O)N2c3ccccc3CC2C)nn1.
What is the InChIKey of [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HRKAZDOXYOXGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-12(2)19-17-10-9-15(20-21-17)18(23)22-13(3)11-14-7-5-6-8-16(14)22/h5-10,12-13H,4,11H2,1-3H3,(H,19,21).
What are the key properties of [6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.28, 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-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109111518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).