2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone

C20H24N4O — CID 56778581

IUPAC2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nn1
InChIInChI=1S/C20H24N4O/c1-14-5-8-19(23-22-14)21-18-9-11-24(12-10-18)20(25)17-7-6-15-3-2-4-16(15)13-17/h5-8,13,18H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyYWAMUIOJWUGMOX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.99
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone (PubChem CID 56778581) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
PubChem CID56778581
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nn1
InChIInChI=1S/C20H24N4O/c1-14-5-8-19(23-22-14)21-18-9-11-24(12-10-18)20(25)17-7-6-15-3-2-4-16(15)13-17/h5-8,13,18H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyYWAMUIOJWUGMOX-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone (CID 56778581) is 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone is Cc1ccc(NC2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nn1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
The InChIKey is YWAMUIOJWUGMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-5-8-19(23-22-14)21-18-9-11-24(12-10-18)20(25)17-7-6-15-3-2-4-16(15)13-17/h5-8,13,18H,2-4,9-12H2,1H3,(H,21,23).
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56778581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).