N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C20H26N2O3 — CID 172671237

IUPACN-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1cccc(CO)c1C
InChIInChI=1S/C20H26N2O3/c1-13(2)8-10-22-11-9-14(3)18(20(22)25)19(24)21-17-7-5-6-16(12-23)15(17)4/h5-7,9,11,13,23H,8,10,12H2,1-4H3,(H,21,24)
InChIKeyPVLGFFBDLSZJSQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.26
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172671237) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172671237
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1cccc(CO)c1C
InChIInChI=1S/C20H26N2O3/c1-13(2)8-10-22-11-9-14(3)18(20(22)25)19(24)21-17-7-5-6-16(12-23)15(17)4/h5-7,9,11,13,23H,8,10,12H2,1-4H3,(H,21,24)
InChIKeyPVLGFFBDLSZJSQ-UHFFFAOYSA-N
XLogP3.26
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172665336
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 172660892
4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172669432
N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172668001
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 172665223
N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172655796
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 172671667
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172660059
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172672641
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172656647

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172671237) is N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1cccc(CO)c1C.
What is the InChIKey of N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is PVLGFFBDLSZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)8-10-22-11-9-14(3)18(20(22)25)19(24)21-17-7-5-6-16(12-23)15(17)4/h5-7,9,11,13,23H,8,10,12H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172671237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).