5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide

C24H32N2O4 — CID 2368043

IUPAC5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(O)c(C(=O)c2cc(C(=O)NCCC(C)C)c(=O)n(CCC(C)C)c2)c1
InChIInChI=1S/C24H32N2O4/c1-15(2)8-10-25-23(29)20-13-18(14-26(24(20)30)11-9-16(3)4)22(28)19-12-17(5)6-7-21(19)27/h6-7,12-16,27H,8-11H2,1-5H3,(H,25,29)
InChIKeyWRHPCIPGOFHRGZ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.92
Rot. Bonds9

About 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide

5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 2368043) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID2368043
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(O)c(C(=O)c2cc(C(=O)NCCC(C)C)c(=O)n(CCC(C)C)c2)c1
InChIInChI=1S/C24H32N2O4/c1-15(2)8-10-25-23(29)20-13-18(14-26(24(20)30)11-9-16(3)4)22(28)19-12-17(5)6-7-21(19)27/h6-7,12-16,27H,8-11H2,1-5H3,(H,25,29)
InChIKeyWRHPCIPGOFHRGZ-UHFFFAOYSA-N
XLogP3.92
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 2368043) is 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1ccc(O)c(C(=O)c2cc(C(=O)NCCC(C)C)c(=O)n(CCC(C)C)c2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is WRHPCIPGOFHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-15(2)8-10-25-23(29)20-13-18(14-26(24(20)30)11-9-16(3)4)22(28)19-12-17(5)6-7-21(19)27/h6-7,12-16,27H,8-11H2,1-5H3,(H,25,29).
What are the key properties of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide?
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2368043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).