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

C22H21BrN4O3 — CID 146095742

IUPACN-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCN(c2ccc(Br)cc2)C1=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H21BrN4O3/c23-15-8-10-16(11-9-15)26-14-4-7-19(22(26)30)24-21(29)18-12-13-20(28)27(25-18)17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,24,29)
InChIKeyIARYNXFCEFPXAU-UHFFFAOYSA-N
MW469.34 g/mol
LogP3.24
Rot. Bonds4

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

N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 146095742) has the molecular formula C22H21BrN4O3 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID146095742
Molecular FormulaC22H21BrN4O3
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC NameN-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCN(c2ccc(Br)cc2)C1=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H21BrN4O3/c23-15-8-10-16(11-9-15)26-14-4-7-19(22(26)30)24-21(29)18-12-13-20(28)27(25-18)17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,24,29)
InChIKeyIARYNXFCEFPXAU-UHFFFAOYSA-N
XLogP3.24
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 146095742) is N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(NC1CCCN(c2ccc(Br)cc2)C1=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IARYNXFCEFPXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O3/c23-15-8-10-16(11-9-15)26-14-4-7-19(22(26)30)24-21(29)18-12-13-20(28)27(25-18)17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,24,29).
What are the key properties of N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 469.34 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 N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 146095742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).