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

C23H29BrN2O4 — CID 3519418

IUPAC5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(C(=O)c2cc(Br)ccc2O)cn(CCC(C)C)c1=O
InChIInChI=1S/C23H29BrN2O4/c1-14(2)7-9-25-22(29)19-11-16(13-26(23(19)30)10-8-15(3)4)21(28)18-12-17(24)5-6-20(18)27/h5-6,11-15,27H,7-10H2,1-4H3,(H,25,29)
InChIKeyNSZWRUHRDITUMF-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.37
Rot. Bonds9

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

5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 3519418) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID3519418
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(C(=O)c2cc(Br)ccc2O)cn(CCC(C)C)c1=O
InChIInChI=1S/C23H29BrN2O4/c1-14(2)7-9-25-22(29)19-11-16(13-26(23(19)30)10-8-15(3)4)21(28)18-12-17(24)5-6-20(18)27/h5-6,11-15,27H,7-10H2,1-4H3,(H,25,29)
InChIKeyNSZWRUHRDITUMF-UHFFFAOYSA-N
XLogP4.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 3519418) is 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide is CC(C)CCNC(=O)c1cc(C(=O)c2cc(Br)ccc2O)cn(CCC(C)C)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is NSZWRUHRDITUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-14(2)7-9-25-22(29)19-11-16(13-26(23(19)30)10-8-15(3)4)21(28)18-12-17(24)5-6-20(18)27/h5-6,11-15,27H,7-10H2,1-4H3,(H,25,29).
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 477.40 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 3519418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).