N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide

C20H24N4O — CID 118742529

IUPACN-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide
SMILESCCN1CCC2(CC1)CC(NC(=O)c1ccnnc1)c1ccccc12
InChIInChI=1S/C20H24N4O/c1-2-24-11-8-20(9-12-24)13-18(16-5-3-4-6-17(16)20)23-19(25)15-7-10-21-22-14-15/h3-7,10,14,18H,2,8-9,11-13H2,1H3,(H,23,25)
InChIKeyNYZAVUALKMUAHX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.70
Rot. Bonds3

About N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide

N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide (PubChem CID 118742529) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide
PubChem CID118742529
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide
SMILESCCN1CCC2(CC1)CC(NC(=O)c1ccnnc1)c1ccccc12
InChIInChI=1S/C20H24N4O/c1-2-24-11-8-20(9-12-24)13-18(16-5-3-4-6-17(16)20)23-19(25)15-7-10-21-22-14-15/h3-7,10,14,18H,2,8-9,11-13H2,1H3,(H,23,25)
InChIKeyNYZAVUALKMUAHX-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide (CID 118742529) is N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide is CCN1CCC2(CC1)CC(NC(=O)c1ccnnc1)c1ccccc12.
What is the InChIKey of N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide?
The InChIKey is NYZAVUALKMUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-24-11-8-20(9-12-24)13-18(16-5-3-4-6-17(16)20)23-19(25)15-7-10-21-22-14-15/h3-7,10,14,18H,2,8-9,11-13H2,1H3,(H,23,25).
What are the key properties of N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide?
N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 118742529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).