3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide

C24H32N6O2 — CID 155469549

IUPAC3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)nn1
InChIInChI=1S/C24H32N6O2/c25-18-6-2-3-7-19(18)27-23(32)21-9-8-20(28-29-21)22(31)26-14-17-30-15-12-24(13-16-30)10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-17,25H2,(H,26,31)(H,27,32)
InChIKeyGZDUTALSOOCNTI-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.09
Rot. Bonds6

About 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide

3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide (PubChem CID 155469549) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide
PubChem CID155469549
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)nn1
InChIInChI=1S/C24H32N6O2/c25-18-6-2-3-7-19(18)27-23(32)21-9-8-20(28-29-21)22(31)26-14-17-30-15-12-24(13-16-30)10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-17,25H2,(H,26,31)(H,27,32)
InChIKeyGZDUTALSOOCNTI-UHFFFAOYSA-N
XLogP3.09
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
CID 62249790
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
6-(2-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115723
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
6-N-(2-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096462
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 81316862
6-chloro-N-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051345

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide?
The IUPAC name of 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide (CID 155469549) is 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide.
What is the SMILES notation for 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide?
The canonical SMILES for 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide is Nc1ccccc1NC(=O)c1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)nn1.
What is the InChIKey of 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide?
The InChIKey is GZDUTALSOOCNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c25-18-6-2-3-7-19(18)27-23(32)21-9-8-20(28-29-21)22(31)26-14-17-30-15-12-24(13-16-30)10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-17,25H2,(H,26,31)(H,27,32).
What are the key properties of 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide?
3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminophenyl)-6-N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]pyridazine-3,6-dicarboxamide is sourced from PubChem (CID 155469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).