N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide

C18H22N4O3 — CID 113048618

IUPACN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)C2CCCO2)nn1
InChIInChI=1S/C18H22N4O3/c1-12(2)25-14-7-4-3-6-13(14)19-16-9-10-17(22-21-16)20-18(23)15-8-5-11-24-15/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyZCEUQUKKUYOGHI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.12
Rot. Bonds6

About N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide (PubChem CID 113048618) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
PubChem CID113048618
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)C2CCCO2)nn1
InChIInChI=1S/C18H22N4O3/c1-12(2)25-14-7-4-3-6-13(14)19-16-9-10-17(22-21-16)20-18(23)15-8-5-11-24-15/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyZCEUQUKKUYOGHI-UHFFFAOYSA-N
XLogP3.12
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
CID 113041669
N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113050128
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113047900
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide (CID 113048618) is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide is CC(C)Oc1ccccc1Nc1ccc(NC(=O)C2CCCO2)nn1.
What is the InChIKey of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The InChIKey is ZCEUQUKKUYOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)25-14-7-4-3-6-13(14)19-16-9-10-17(22-21-16)20-18(23)15-8-5-11-24-15/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 113048618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).