N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide

C19H24N2O4 — CID 163196278

IUPACN-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide
SMILESCCCCn1c(C)cc(=O)c(O)c1CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O4/c1-4-5-10-21-13(2)11-17(22)18(23)16(21)12-20-19(24)14-6-8-15(25-3)9-7-14/h6-9,11,23H,4-5,10,12H2,1-3H3,(H,20,24)
InChIKeyASJNWOPCCOKNCL-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.60
Rot. Bonds7

About N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide

N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide (PubChem CID 163196278) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide
PubChem CID163196278
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide
SMILESCCCCn1c(C)cc(=O)c(O)c1CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O4/c1-4-5-10-21-13(2)11-17(22)18(23)16(21)12-20-19(24)14-6-8-15(25-3)9-7-14/h6-9,11,23H,4-5,10,12H2,1-3H3,(H,20,24)
InChIKeyASJNWOPCCOKNCL-UHFFFAOYSA-N
XLogP2.60
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide (CID 163196278) is N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide is CCCCn1c(C)cc(=O)c(O)c1CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide?
The InChIKey is ASJNWOPCCOKNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-5-10-21-13(2)11-17(22)18(23)16(21)12-20-19(24)14-6-8-15(25-3)9-7-14/h6-9,11,23H,4-5,10,12H2,1-3H3,(H,20,24).
What are the key properties of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide?
N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide has a molecular weight of 344.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 163196278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).