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

C18H18N4O2 — CID 113040689

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NCc3ccco3)nn2)c1
InChIInChI=1S/C18H18N4O2/c1-13-4-2-5-14(10-13)11-18(23)20-17-8-7-16(21-22-17)19-12-15-6-3-9-24-15/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyONYWHYLOQZVCAY-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.17
Rot. Bonds6

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

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 113040689) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID113040689
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NCc3ccco3)nn2)c1
InChIInChI=1S/C18H18N4O2/c1-13-4-2-5-14(10-13)11-18(23)20-17-8-7-16(21-22-17)19-12-15-6-3-9-24-15/h2-10H,11-12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyONYWHYLOQZVCAY-UHFFFAOYSA-N
XLogP3.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040680
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide (CID 113040689) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(NCc3ccco3)nn2)c1.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is ONYWHYLOQZVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-4-2-5-14(10-13)11-18(23)20-17-8-7-16(21-22-17)19-12-15-6-3-9-24-15/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-(3-methylphenyl)acetamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113040689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).