propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate

C22H30N2O5 — CID 145200805

IUPACpropyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
SMILESCCCCc1[nH]c(=O)c(/C(=N/C)OCCC)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C22H30N2O5/c1-6-8-10-14-17(18-15(27-4)11-9-12-16(18)28-5)20(25)19(21(26)24-14)22(23-3)29-13-7-2/h9,11-12H,6-8,10,13H2,1-5H3,(H2,24,25,26)/b23-22-
InChIKeyZOXWWZGCGZGGOZ-FCQUAONHSA-N
MW402.49 g/mol
LogP3.91
Rot. Bonds9

About propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate

propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate (PubChem CID 145200805) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate.

Molecular Properties

Compound Namepropyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
PubChem CID145200805
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Namepropyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
SMILESCCCCc1[nH]c(=O)c(/C(=N/C)OCCC)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C22H30N2O5/c1-6-8-10-14-17(18-15(27-4)11-9-12-16(18)28-5)20(25)19(21(26)24-14)22(23-3)29-13-7-2/h9,11-12H,6-8,10,13H2,1-5H3,(H2,24,25,26)/b23-22-
InChIKeyZOXWWZGCGZGGOZ-FCQUAONHSA-N
XLogP3.91
TPSA93.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate with MolForge

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Launch Full Analysis

Related Compounds

4-[(Z)-but-1-en-3-ynyl]iminobutyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200850
but-1-en-2-yl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate;pyrrolidine-2,4-dione
CID 145200854
3-(3,4-difluorophenoxy)prop-1-en-2-yl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200694
3-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200679
3-(3-methyl-1,2-oxazol-5-yl)prop-1-en-2-yl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200825
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 146342580
4-(2-methoxyphenyl)penta-1,4-dien-2-yl 6-butyl-5-(2,6-diethylphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200913
3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146222359
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 129032287
6-butyl-3-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032297

Frequently Asked Questions

What is the IUPAC name of propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate?
The IUPAC name of propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate (CID 145200805) is propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate.
What is the SMILES notation for propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate?
The canonical SMILES for propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate is CCCCc1[nH]c(=O)c(/C(=N/C)OCCC)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate?
The InChIKey is ZOXWWZGCGZGGOZ-FCQUAONHSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-6-8-10-14-17(18-15(27-4)11-9-12-16(18)28-5)20(25)19(21(26)24-14)22(23-3)29-13-7-2/h9,11-12H,6-8,10,13H2,1-5H3,(H2,24,25,26)/b23-22-.
What are the key properties of propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate?
propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate has a molecular weight of 402.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate is sourced from PubChem (CID 145200805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).