N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide

C19H24N2O3 — CID 111422607

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC(O)c2ccc(C(C)(C)C)cc2)cc1=O
InChIInChI=1S/C19H24N2O3/c1-19(2,3)15-7-5-13(6-8-15)16(22)12-20-18(24)14-9-10-21(4)17(23)11-14/h5-11,16,22H,12H2,1-4H3,(H,20,24)
InChIKeyCWTMKBLJJAHADJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 111422607) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID111422607
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC(O)c2ccc(C(C)(C)C)cc2)cc1=O
InChIInChI=1S/C19H24N2O3/c1-19(2,3)15-7-5-13(6-8-15)16(22)12-20-18(24)14-9-10-21(4)17(23)11-14/h5-11,16,22H,12H2,1-4H3,(H,20,24)
InChIKeyCWTMKBLJJAHADJ-UHFFFAOYSA-N
XLogP2.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
CID 119792647
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
4-[2-(tert-butylamino)-1-hydroxyethyl]-1-methylpyridin-2-one
CID 138484907
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 111422607) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCC(O)c2ccc(C(C)(C)C)cc2)cc1=O.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is CWTMKBLJJAHADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)15-7-5-13(6-8-15)16(22)12-20-18(24)14-9-10-21(4)17(23)11-14/h5-11,16,22H,12H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 111422607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).