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

C19H24N2O4 — CID 162674598

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2c(O)c(=O)cc(C)n2C)cc1
InChIInChI=1S/C19H24N2O4/c1-13-11-17(22)19(24)16(21(13)2)12-20-18(23)6-4-5-14-7-9-15(25-3)10-8-14/h7-11,24H,4-6,12H2,1-3H3,(H,20,23)
InChIKeyIZMXOFQJWGNPEG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.05
Rot. Bonds7

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

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide (PubChem CID 162674598) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide
PubChem CID162674598
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2c(O)c(=O)cc(C)n2C)cc1
InChIInChI=1S/C19H24N2O4/c1-13-11-17(22)19(24)16(21(13)2)12-20-18(23)6-4-5-14-7-9-15(25-3)10-8-14/h7-11,24H,4-6,12H2,1-3H3,(H,20,23)
InChIKeyIZMXOFQJWGNPEG-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nocazine C
CID 56600878
N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 4590252
3-(Isopentylamino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
CID 2885930
(E)-N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49847147
(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 146020568
[(1R)-2-(4-methoxyphenyl)-1-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]amino]-3-methylbutanoyl]amino]ethyl]boronic acid
CID 52943902
4-hydroxy-N-(4-methoxyphenethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54677460
6-{(E)-3-(4-Methoxy-phenyl)-2-[(E)-(3-phenyl-acryloyl)amino]-acryloylamino}-hexanoic acid
CID 5935268
N-cyclohexyl-4-(4-methoxyphenyl)butanamide
CID 888773
Antibacterial synergist 1
CID 163196278
N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide
CID 166633751
Hexanoic acid, 6-((2-(acetylamino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)amino)-
CID 6449058

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide (CID 162674598) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=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]-4-(4-methoxyphenyl)butanamide?
The InChIKey is IZMXOFQJWGNPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-11-17(22)19(24)16(21(13)2)12-20-18(23)6-4-5-14-7-9-15(25-3)10-8-14/h7-11,24H,4-6,12H2,1-3H3,(H,20,23).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 344.41 g/mol, XLogP of 2.05, 7 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]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 162674598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).