N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide

C18H22N2O4 — CID 162663274

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2c(O)c(=O)cc(C)n2C)cc1
InChIInChI=1S/C18H22N2O4/c1-12-10-16(21)18(23)15(20(12)2)11-19-17(22)9-6-13-4-7-14(24-3)8-5-13/h4-5,7-8,10,23H,6,9,11H2,1-3H3,(H,19,22)
InChIKeyLCIDQKDWIOQXCW-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.66
Rot. Bonds6

About N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 162663274) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID162663274
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2c(O)c(=O)cc(C)n2C)cc1
InChIInChI=1S/C18H22N2O4/c1-12-10-16(21)18(23)15(20(12)2)11-19-17(22)9-6-13-4-7-14(24-3)8-5-13/h4-5,7-8,10,23H,6,9,11H2,1-3H3,(H,19,22)
InChIKeyLCIDQKDWIOQXCW-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 162663274) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2c(O)c(=O)cc(C)n2C)cc1.
What is the InChIKey of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is LCIDQKDWIOQXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-10-16(21)18(23)15(20(12)2)11-19-17(22)9-6-13-4-7-14(24-3)8-5-13/h4-5,7-8,10,23H,6,9,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 162663274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).