N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide

C19H24N2O3 — CID 111825632

IUPACN-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C19H24N2O3/c1-4-19(24,5-2)12-20-17(22)16-11-15(13(3)21-18(16)23)14-9-7-6-8-10-14/h6-11,24H,4-5,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCDTSURXMAROHRM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.63
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide (PubChem CID 111825632) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
PubChem CID111825632
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C19H24N2O3/c1-4-19(24,5-2)12-20-17(22)16-11-15(13(3)21-18(16)23)14-9-7-6-8-10-14/h6-11,24H,4-5,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCDTSURXMAROHRM-UHFFFAOYSA-N
XLogP2.63
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide (CID 111825632) is N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide is CCC(O)(CC)CNC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is CDTSURXMAROHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-19(24,5-2)12-20-17(22)16-11-15(13(3)21-18(16)23)14-9-7-6-8-10-14/h6-11,24H,4-5,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 111825632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).