N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C20H24N4O2 — CID 53202122

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NC3CCc4ccccc43)CC2)cc1=O
InChIInChI=1S/C20H24N4O2/c1-23-19(25)12-16(13-21-23)24-10-8-15(9-11-24)20(26)22-18-7-6-14-4-2-3-5-17(14)18/h2-5,12-13,15,18H,6-11H2,1H3,(H,22,26)
InChIKeyRULPDFMZEZCHSE-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.80
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202122) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202122
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NC3CCc4ccccc43)CC2)cc1=O
InChIInChI=1S/C20H24N4O2/c1-23-19(25)12-16(13-21-23)24-10-8-15(9-11-24)20(26)22-18-7-6-14-4-2-3-5-17(14)18/h2-5,12-13,15,18H,6-11H2,1H3,(H,22,26)
InChIKeyRULPDFMZEZCHSE-UHFFFAOYSA-N
XLogP1.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202122) is N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is Cn1ncc(N2CCC(C(=O)NC3CCc4ccccc43)CC2)cc1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is RULPDFMZEZCHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-19(25)12-16(13-21-23)24-10-8-15(9-11-24)20(26)22-18-7-6-14-4-2-3-5-17(14)18/h2-5,12-13,15,18H,6-11H2,1H3,(H,22,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).