1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide

C17H21N3O2 — CID 82518948

IUPAC1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2OC)n(CCCC)c1=O
InChIInChI=1S/C17H21N3O2/c1-3-4-11-20-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-2/h5-10H,3-4,11H2,1-2H3,(H3,18,19)
InChIKeyZLFFHLQVBZOILY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.61
Rot. Bonds6

About 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide (PubChem CID 82518948) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
PubChem CID82518948
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2OC)n(CCCC)c1=O
InChIInChI=1S/C17H21N3O2/c1-3-4-11-20-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-2/h5-10H,3-4,11H2,1-2H3,(H3,18,19)
InChIKeyZLFFHLQVBZOILY-UHFFFAOYSA-N
XLogP2.61
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518694
3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 82189672
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82518797
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
CID 82524435
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
2-oxo-1-pentylpyridine-3-carboximidamide
CID 82526707

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide (CID 82518948) is 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccccc2OC)n(CCCC)c1=O.
What is the InChIKey of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide?
The InChIKey is ZLFFHLQVBZOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-11-20-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-2/h5-10H,3-4,11H2,1-2H3,(H3,18,19).
What are the key properties of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide?
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide has a molecular weight of 299.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 82518948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).