N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide

C27H21BrN2O4 — CID 3878772

IUPACN,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Br)ccc1O
InChIInChI=1S/C27H21BrN2O4/c28-21-11-12-24(31)22(14-21)25(32)20-13-23(26(33)29-15-18-7-3-1-4-8-18)27(34)30(17-20)16-19-9-5-2-6-10-19/h1-14,17,31H,15-16H2,(H,29,33)
InChIKeyDZZXGOZBESRZKI-UHFFFAOYSA-N
MW517.38 g/mol
LogP4.53
Rot. Bonds7

About N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide

N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide (PubChem CID 3878772) has the molecular formula C27H21BrN2O4 and a molecular weight of 517.38 g/mol. Its IUPAC name is N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
PubChem CID3878772
Molecular FormulaC27H21BrN2O4
Molecular Weight517.38 g/mol
Exact Mass516.07
IUPAC NameN,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Br)ccc1O
InChIInChI=1S/C27H21BrN2O4/c28-21-11-12-24(31)22(14-21)25(32)20-13-23(26(33)29-15-18-7-3-1-4-8-18)27(34)30(17-20)16-19-9-5-2-6-10-19/h1-14,17,31H,15-16H2,(H,29,33)
InChIKeyDZZXGOZBESRZKI-UHFFFAOYSA-N
XLogP4.53
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
CID 547207
5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
CID 2432028
5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 3519418
5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile
CID 5022519
N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide
CID 2368427
1-Benzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 3427652
8-[(5-Bromo-2-hydroxybenzoyl)amino]octanoic acid
CID 11646591
N-benzyl-3,5-dibromo-2-hydroxy-benzamide
CID 10916003
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-5-bromo-2-hydroxy-benzamide
CID 505957
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide
CID 4795249
5-bromo-N-[6-[(5-bromo-2-hydroxybenzoyl)amino]hexyl]-2-hydroxybenzamide
CID 44274576
N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide
CID 135923133

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide (CID 3878772) is N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide is O=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Br)ccc1O.
What is the InChIKey of N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The InChIKey is DZZXGOZBESRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O4/c28-21-11-12-24(31)22(14-21)25(32)20-13-23(26(33)29-15-18-7-3-1-4-8-18)27(34)30(17-20)16-19-9-5-2-6-10-19/h1-14,17,31H,15-16H2,(H,29,33).
What are the key properties of N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide has a molecular weight of 517.38 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 3878772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).