N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

C18H18N4O3 — CID 113040680

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NCc3ccco3)nn2)cc1
InChIInChI=1S/C18H18N4O3/c1-13-4-6-14(7-5-13)25-12-18(23)20-17-9-8-16(21-22-17)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyDILDOGKUTAYSAT-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.01
Rot. Bonds7

About N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 113040680) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID113040680
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NCc3ccco3)nn2)cc1
InChIInChI=1S/C18H18N4O3/c1-13-4-6-14(7-5-13)25-12-18(23)20-17-9-8-16(21-22-17)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyDILDOGKUTAYSAT-UHFFFAOYSA-N
XLogP3.01
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 110348322
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (CID 113040680) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(NCc3ccco3)nn2)cc1.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is DILDOGKUTAYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-13-4-6-14(7-5-13)25-12-18(23)20-17-9-8-16(21-22-17)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 338.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113040680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).