N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

C18H20N6O — CID 109115481

IUPACN-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C18H20N6O/c1-24(2)12-11-20-18(25)15-8-9-16(23-22-15)21-14-7-3-5-13-6-4-10-19-17(13)14/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyGXPADPKWOPMCPO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (PubChem CID 109115481) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
PubChem CID109115481
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C18H20N6O/c1-24(2)12-11-20-18(25)15-8-9-16(23-22-15)21-14-7-3-5-13-6-4-10-19-17(13)14/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyGXPADPKWOPMCPO-UHFFFAOYSA-N
XLogP2.06
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109096405
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-(1,3-benzodioxol-5-ylmethyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109120487
N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (CID 109115481) is N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc(Nc2cccc3cccnc23)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The InChIKey is GXPADPKWOPMCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24(2)12-11-20-18(25)15-8-9-16(23-22-15)21-14-7-3-5-13-6-4-10-19-17(13)14/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).