N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide

C18H18N4O2 — CID 113040656

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccco3)nn2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-5-6-14(10-13(12)2)18(23)20-17-8-7-16(21-22-17)19-11-15-4-3-9-24-15/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyQCAFQDHIFHTJEP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.55
Rot. Bonds5

About N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide (PubChem CID 113040656) 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]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
PubChem CID113040656
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccco3)nn2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-5-6-14(10-13(12)2)18(23)20-17-8-7-16(21-22-17)19-11-15-4-3-9-24-15/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyQCAFQDHIFHTJEP-UHFFFAOYSA-N
XLogP3.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117441
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040680
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
3,4-difluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113026285

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide (CID 113040656) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(NCc3ccco3)nn2)cc1C.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is QCAFQDHIFHTJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-6-14(10-13(12)2)18(23)20-17-8-7-16(21-22-17)19-11-15-4-3-9-24-15/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 3.55, 5 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 113040656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).