N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

C21H17N3O3S — CID 31836968

IUPACN-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H17N3O3S/c25-20-11-10-19(22-24(20)16-6-2-1-3-7-16)21(26)23(14-17-8-4-12-27-17)15-18-9-5-13-28-18/h1-13H,14-15H2
InChIKeyDXNFXETZWOFAQP-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 31836968) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID31836968
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H17N3O3S/c25-20-11-10-19(22-24(20)16-6-2-1-3-7-16)21(26)23(14-17-8-4-12-27-17)15-18-9-5-13-28-18/h1-13H,14-15H2
InChIKeyDXNFXETZWOFAQP-UHFFFAOYSA-N
XLogP3.73
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2444224
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
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N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
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
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 51074060

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (CID 31836968) is N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is O=C(c1ccc(=O)n(-c2ccccc2)n1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is DXNFXETZWOFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-20-11-10-19(22-24(20)16-6-2-1-3-7-16)21(26)23(14-17-8-4-12-27-17)15-18-9-5-13-28-18/h1-13H,14-15H2.
What are the key properties of N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 31836968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).