4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide

C18H17ClN4O3 — CID 95916057

IUPAC4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)c1cnn(-c2ccc(C(=O)NCc3ccco3)cc2)c(=O)c1Cl
InChIInChI=1S/C18H17ClN4O3/c1-22(2)15-11-21-23(18(25)16(15)19)13-7-5-12(6-8-13)17(24)20-10-14-4-3-9-26-14/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyVAPQXBFBNJHVPE-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.47
Rot. Bonds5

About 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide

4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 95916057) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID95916057
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)c1cnn(-c2ccc(C(=O)NCc3ccco3)cc2)c(=O)c1Cl
InChIInChI=1S/C18H17ClN4O3/c1-22(2)15-11-21-23(18(25)16(15)19)13-7-5-12(6-8-13)17(24)20-10-14-4-3-9-26-14/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyVAPQXBFBNJHVPE-UHFFFAOYSA-N
XLogP2.47
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16749979
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide (CID 95916057) is 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide is CN(C)c1cnn(-c2ccc(C(=O)NCc3ccco3)cc2)c(=O)c1Cl.
What is the InChIKey of 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is VAPQXBFBNJHVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-22(2)15-11-21-23(18(25)16(15)19)13-7-5-12(6-8-13)17(24)20-10-14-4-3-9-26-14/h3-9,11H,10H2,1-2H3,(H,20,24).
What are the key properties of 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide?
4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 372.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 95916057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).