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

C17H20N4O3 — CID 113041669

IUPACN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)C2CCCO2)nn1
InChIInChI=1S/C17H20N4O3/c1-23-13-6-3-2-5-12(13)11-18-15-8-9-16(21-20-15)19-17(22)14-7-4-10-24-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyDCBQDIGIHIVKMW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.21
Rot. Bonds6

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

N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide (PubChem CID 113041669) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
PubChem CID113041669
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)C2CCCO2)nn1
InChIInChI=1S/C17H20N4O3/c1-23-13-6-3-2-5-12(13)11-18-15-8-9-16(21-20-15)19-17(22)14-7-4-10-24-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyDCBQDIGIHIVKMW-UHFFFAOYSA-N
XLogP2.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]oxolane-2-carboxamide
CID 112983505
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113042641
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113047900
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide (CID 113041669) is N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide is COc1ccccc1CNc1ccc(NC(=O)C2CCCO2)nn1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide?
The InChIKey is DCBQDIGIHIVKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-6-3-2-5-12(13)11-18-15-8-9-16(21-20-15)19-17(22)14-7-4-10-24-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide?
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 113041669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).