N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide

C24H25N3O4 — CID 141065680

IUPACN-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C2=NN(Cc3cccc(NC(=O)c4ccco4)c3)CCC2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-29-21-11-10-18(15-23(21)30-2)20-8-4-12-27(26-20)16-17-6-3-7-19(14-17)25-24(28)22-9-5-13-31-22/h3,5-7,9-11,13-15H,4,8,12,16H2,1-2H3,(H,25,28)
InChIKeyAPTVWBKYMPELIQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.55
Rot. Bonds7

About N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide

N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide (PubChem CID 141065680) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
PubChem CID141065680
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(C2=NN(Cc3cccc(NC(=O)c4ccco4)c3)CCC2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-29-21-11-10-18(15-23(21)30-2)20-8-4-12-27(26-20)16-17-6-3-7-19(14-17)25-24(28)22-9-5-13-31-22/h3,5-7,9-11,13-15H,4,8,12,16H2,1-2H3,(H,25,28)
InChIKeyAPTVWBKYMPELIQ-UHFFFAOYSA-N
XLogP4.55
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
CID 141065667
N-[3-[[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111201000
N-[2-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1H-imidazole-5-carboxamide
CID 141065608
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046782
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
N-[3-[2-[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-oxadiazin-3-yl]ethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 67612754
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
CID 7687540

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide (CID 141065680) is N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide is COc1ccc(C2=NN(Cc3cccc(NC(=O)c4ccco4)c3)CCC2)cc1OC.
What is the InChIKey of N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide?
The InChIKey is APTVWBKYMPELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-21-11-10-18(15-23(21)30-2)20-8-4-12-27(26-20)16-17-6-3-7-19(14-17)25-24(28)22-9-5-13-31-22/h3,5-7,9-11,13-15H,4,8,12,16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide?
N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 141065680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).