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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Related Compounds

1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3537598
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 94867347
N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 71939366
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 42921903
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
CID 129226585
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one
CID 3816156
1-(4-bromophenyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4679749
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577

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).