N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide

C20H21N3O2 — CID 100666480

IUPACN-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide
SMILESCc1ccc(CCN(Cc2ccco2)C(=O)c2cnnc(C)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-5-7-17(8-6-15)9-10-23(14-19-4-3-11-25-19)20(24)18-12-16(2)22-21-13-18/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyISDUXYNPCOLRNZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.57
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide

N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide (PubChem CID 100666480) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide
PubChem CID100666480
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide
SMILESCc1ccc(CCN(Cc2ccco2)C(=O)c2cnnc(C)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-5-7-17(8-6-15)9-10-23(14-19-4-3-11-25-19)20(24)18-12-16(2)22-21-13-18/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyISDUXYNPCOLRNZ-UHFFFAOYSA-N
XLogP3.57
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 99852493
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 72842683
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-(furan-2-ylmethyl)-1-oxido-N-[2-(4-sulfamoylphenyl)ethyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide
CID 177379051
N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5051801
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113053917
N-(3-cyclopentylpropyl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 770764

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide (CID 100666480) is N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide is Cc1ccc(CCN(Cc2ccco2)C(=O)c2cnnc(C)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is ISDUXYNPCOLRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-5-7-17(8-6-15)9-10-23(14-19-4-3-11-25-19)20(24)18-12-16(2)22-21-13-18/h3-8,11-13H,9-10,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide?
N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 100666480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).