N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide

C16H17N3O3S — CID 51074060

IUPACN-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N(Cc2ccco2)Cc2cccs2)CCC1=O
InChIInChI=1S/C16H17N3O3S/c1-18-15(20)7-6-14(17-18)16(21)19(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h2-5,8-9H,6-7,10-11H2,1H3
InChIKeyQPSRDZLEBPSBJI-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.48
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51074060) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID51074060
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N(Cc2ccco2)Cc2cccs2)CCC1=O
InChIInChI=1S/C16H17N3O3S/c1-18-15(20)7-6-14(17-18)16(21)19(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h2-5,8-9H,6-7,10-11H2,1H3
InChIKeyQPSRDZLEBPSBJI-UHFFFAOYSA-N
XLogP2.48
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24628335
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 31836968
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide (CID 51074060) is N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)N(Cc2ccco2)Cc2cccs2)CCC1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QPSRDZLEBPSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18-15(20)7-6-14(17-18)16(21)19(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h2-5,8-9H,6-7,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51074060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).