N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide

C18H22N4O2 — CID 113046674

IUPACN-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)C2CCOCC2)nn1
InChIInChI=1S/C18H22N4O2/c1-2-13-5-3-4-6-15(13)19-16-7-8-17(22-21-16)20-18(23)14-9-11-24-12-10-14/h3-8,14H,2,9-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyCEAQGNPFOLQFRU-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds5

About N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide

N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 113046674) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
PubChem CID113046674
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)C2CCOCC2)nn1
InChIInChI=1S/C18H22N4O2/c1-2-13-5-3-4-6-15(13)19-16-7-8-17(22-21-16)20-18(23)14-9-11-24-12-10-14/h3-8,14H,2,9-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyCEAQGNPFOLQFRU-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113050613
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636
1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
CID 113046668
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide (CID 113046674) is N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide is CCc1ccccc1Nc1ccc(NC(=O)C2CCOCC2)nn1.
What is the InChIKey of N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide?
The InChIKey is CEAQGNPFOLQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-13-5-3-4-6-15(13)19-16-7-8-17(22-21-16)20-18(23)14-9-11-24-12-10-14/h3-8,14H,2,9-12H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide?
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 113046674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).