4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide

C24H30N2O3 — CID 161153250

IUPAC4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cc(CC(=O)Cc3cc(C(C)(C)C)ccc3O)ccn2)CCC1
InChIInChI=1S/C24H30N2O3/c1-23(2,3)18-6-7-21(28)17(14-18)15-19(27)12-16-8-11-25-20(13-16)22(29)26-24(4)9-5-10-24/h6-8,11,13-14,28H,5,9-10,12,15H2,1-4H3,(H,26,29)
InChIKeyUOYPRFSMPOYVPI-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.11
Rot. Bonds6

About 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide

4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide (PubChem CID 161153250) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
PubChem CID161153250
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cc(CC(=O)Cc3cc(C(C)(C)C)ccc3O)ccn2)CCC1
InChIInChI=1S/C24H30N2O3/c1-23(2,3)18-6-7-21(28)17(14-18)15-19(27)12-16-8-11-25-20(13-16)22(29)26-24(4)9-5-10-24/h6-8,11,13-14,28H,5,9-10,12,15H2,1-4H3,(H,26,29)
InChIKeyUOYPRFSMPOYVPI-UHFFFAOYSA-N
XLogP4.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide (CID 161153250) is 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide is CC1(NC(=O)c2cc(CC(=O)Cc3cc(C(C)(C)C)ccc3O)ccn2)CCC1.
What is the InChIKey of 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is UOYPRFSMPOYVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2,3)18-6-7-21(28)17(14-18)15-19(27)12-16-8-11-25-20(13-16)22(29)26-24(4)9-5-10-24/h6-8,11,13-14,28H,5,9-10,12,15H2,1-4H3,(H,26,29).
What are the key properties of 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 161153250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).