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

C18H22N2O4 — CID 166633751

IUPACN-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide
SMILESCCCn1c(C)cc(=O)c(O)c1CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O4/c1-4-9-20-12(2)10-16(21)17(22)15(20)11-19-18(23)13-5-7-14(24-3)8-6-13/h5-8,10,22H,4,9,11H2,1-3H3,(H,19,23)
InChIKeyQIQNBQZAIVGKNP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.21
Rot. Bonds6

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

N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide (PubChem CID 166633751) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide
PubChem CID166633751
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide
SMILESCCCn1c(C)cc(=O)c(O)c1CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O4/c1-4-9-20-12(2)10-16(21)17(22)15(20)11-19-18(23)13-5-7-14(24-3)8-6-13/h5-8,10,22H,4,9,11H2,1-3H3,(H,19,23)
InChIKeyQIQNBQZAIVGKNP-UHFFFAOYSA-N
XLogP2.21
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide (CID 166633751) is N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide is CCCn1c(C)cc(=O)c(O)c1CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide?
The InChIKey is QIQNBQZAIVGKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-9-20-12(2)10-16(21)17(22)15(20)11-19-18(23)13-5-7-14(24-3)8-6-13/h5-8,10,22H,4,9,11H2,1-3H3,(H,19,23).
What are the key properties of N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide?
N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 166633751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).