N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C24H23N3O4 — CID 146129495

IUPACN-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C24H23N3O4/c28-21(22-12-7-15-31-22)17-26(16-18-8-3-1-4-9-18)24(30)20-13-14-23(29)27(25-20)19-10-5-2-6-11-19/h1-12,15,21,28H,13-14,16-17H2
InChIKeyJJNDBFMOSLXJFN-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.52
Rot. Bonds7

About N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 146129495) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID146129495
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C24H23N3O4/c28-21(22-12-7-15-31-22)17-26(16-18-8-3-1-4-9-18)24(30)20-13-14-23(29)27(25-20)19-10-5-2-6-11-19/h1-12,15,21,28H,13-14,16-17H2
InChIKeyJJNDBFMOSLXJFN-UHFFFAOYSA-N
XLogP3.52
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 41102946
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 84586214
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
N-benzyl-1-tert-butyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 139004625
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
CID 119204717
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18196785
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120638257

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 146129495) is N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(C1=NN(c2ccccc2)C(=O)CC1)N(Cc1ccccc1)CC(O)c1ccco1.
What is the InChIKey of N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JJNDBFMOSLXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-21(22-12-7-15-31-22)17-26(16-18-8-3-1-4-9-18)24(30)20-13-14-23(29)27(25-20)19-10-5-2-6-11-19/h1-12,15,21,28H,13-14,16-17H2.
What are the key properties of N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 146129495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).