N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide

C17H16N4O2 — CID 109117580

IUPACN-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)NCc3ccco3)nn2)c1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-5-13(10-12)19-16-8-7-15(20-21-16)17(22)18-11-14-6-3-9-23-14/h2-10H,11H2,1H3,(H,18,22)(H,19,21)
InChIKeySGPLWWRPZZUVMG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.05
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide

N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide (PubChem CID 109117580) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
PubChem CID109117580
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)NCc3ccco3)nn2)c1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-5-13(10-12)19-16-8-7-15(20-21-16)17(22)18-11-14-6-3-9-23-14/h2-10H,11H2,1H3,(H,18,22)(H,19,21)
InChIKeySGPLWWRPZZUVMG-UHFFFAOYSA-N
XLogP3.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
N-(furan-2-ylmethyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109117595
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
6-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117625
N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
6-(cyclopropylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109109812
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117515
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide (CID 109117580) is N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)NCc3ccco3)nn2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
The InChIKey is SGPLWWRPZZUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-2-5-13(10-12)19-16-8-7-15(20-21-16)17(22)18-11-14-6-3-9-23-14/h2-10H,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).