N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide

C16H28N4O — CID 107818061

IUPACN-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc(NCCC)nn1
InChIInChI=1S/C16H28N4O/c1-4-7-8-13(6-3)12-18-16(21)14-9-10-15(20-19-14)17-11-5-2/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCXXBSCPMHBGUEY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.24
Rot. Bonds10

About N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide

N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 107818061) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID107818061
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc(NCCC)nn1
InChIInChI=1S/C16H28N4O/c1-4-7-8-13(6-3)12-18-16(21)14-9-10-15(20-19-14)17-11-5-2/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCXXBSCPMHBGUEY-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
CID 106027845
N-(3-methoxy-2-methylpropyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62174819
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
5-carbamothioyl-N-(2-ethylhexyl)pyridine-2-carboxamide
CID 107815245
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide (CID 107818061) is N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide is CCCCC(CC)CNC(=O)c1ccc(NCCC)nn1.
What is the InChIKey of N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is CXXBSCPMHBGUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-8-13(6-3)12-18-16(21)14-9-10-15(20-19-14)17-11-5-2/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 107818061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).