1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide

C22H22N4O3 — CID 26955609

IUPAC1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3ccccc3N3CCCC3=O)CCC2=O)c1
InChIInChI=1S/C22H22N4O3/c1-15-6-4-7-16(14-15)26-21(28)12-11-18(24-26)22(29)23-17-8-2-3-9-19(17)25-13-5-10-20(25)27/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,29)
InChIKeyCHXFHQQFSFTDNX-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.24
Rot. Bonds4

About 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide

1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 26955609) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID26955609
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3ccccc3N3CCCC3=O)CCC2=O)c1
InChIInChI=1S/C22H22N4O3/c1-15-6-4-7-16(14-15)26-21(28)12-11-18(24-26)22(29)23-17-8-2-3-9-19(17)25-13-5-10-20(25)27/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,29)
InChIKeyCHXFHQQFSFTDNX-UHFFFAOYSA-N
XLogP3.24
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30249845
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30246165
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55465845
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 134016651
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
N-[4-(difluoromethoxy)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26800780
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47010097
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43013811

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide (CID 26955609) is 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)Nc3ccccc3N3CCCC3=O)CCC2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CHXFHQQFSFTDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-6-4-7-16(14-15)26-21(28)12-11-18(24-26)22(29)23-17-8-2-3-9-19(17)25-13-5-10-20(25)27/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,29).
What are the key properties of 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 26955609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).