N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide

C19H26N4O — CID 109125388

IUPACN-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2c(C)cccc2CC)nn1
InChIInChI=1S/C19H26N4O/c1-4-6-7-13-20-17-12-11-16(22-23-17)19(24)21-18-14(3)9-8-10-15(18)5-2/h8-12H,4-7,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCHJYOAURCFIJFO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.20
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide (PubChem CID 109125388) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide
PubChem CID109125388
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2c(C)cccc2CC)nn1
InChIInChI=1S/C19H26N4O/c1-4-6-7-13-20-17-12-11-16(22-23-17)19(24)21-18-14(3)9-8-10-15(18)5-2/h8-12H,4-7,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCHJYOAURCFIJFO-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235210
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
methyl 4-[[6-[(2-ethyl-6-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128150
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109116034
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide (CID 109125388) is N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide is CCCCCNc1ccc(C(=O)Nc2c(C)cccc2CC)nn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide?
The InChIKey is CHJYOAURCFIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-6-7-13-20-17-12-11-16(22-23-17)19(24)21-18-14(3)9-8-10-15(18)5-2/h8-12H,4-7,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).