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

C16H18N4O3 — CID 113048185

IUPACN-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)C3CCCO3)nn2)c1
InChIInChI=1S/C16H18N4O3/c1-22-12-5-2-4-11(10-12)17-14-7-8-15(20-19-14)18-16(21)13-6-3-9-23-13/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyWILPSLBKWMNAER-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.35
Rot. Bonds5

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

N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide (PubChem CID 113048185) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
PubChem CID113048185
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)C3CCCO3)nn2)c1
InChIInChI=1S/C16H18N4O3/c1-22-12-5-2-4-11(10-12)17-14-7-8-15(20-19-14)18-16(21)13-6-3-9-23-13/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyWILPSLBKWMNAER-UHFFFAOYSA-N
XLogP2.35
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113047900
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]oxolane-2-carboxamide
CID 113013421
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
CID 113041669
methyl 3-[[6-(cyclobutanecarbonylamino)pyridazin-3-yl]amino]benzoate
CID 113049442
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
CID 17361884

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide (CID 113048185) is N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide is COc1cccc(Nc2ccc(NC(=O)C3CCCO3)nn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The InChIKey is WILPSLBKWMNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-12-5-2-4-11(10-12)17-14-7-8-15(20-19-14)18-16(21)13-6-3-9-23-13/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 113048185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).