1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide

C16H19N3O2 — CID 82518694

IUPAC1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2OC(C)C)n(C)c1=O
InChIInChI=1S/C16H19N3O2/c1-10(2)21-14-7-5-4-6-11(14)13-9-8-12(15(17)18)16(20)19(13)3/h4-10H,1-3H3,(H3,17,18)
InChIKeyZPNSBYJBCYCPQP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.12
Rot. Bonds4

About 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide

1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide (PubChem CID 82518694) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
PubChem CID82518694
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2OC(C)C)n(C)c1=O
InChIInChI=1S/C16H19N3O2/c1-10(2)21-14-7-5-4-6-11(14)13-9-8-12(15(17)18)16(20)19(13)3/h4-10H,1-3H3,(H3,17,18)
InChIKeyZPNSBYJBCYCPQP-UHFFFAOYSA-N
XLogP2.12
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.12
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-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518697
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
9,10-dioxoanthracene-2,3-dicarboximidamide
CID 152601753
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
CID 82524435
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
CID 82520398

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide (CID 82518694) is 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccccc2OC(C)C)n(C)c1=O.
What is the InChIKey of 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
The InChIKey is ZPNSBYJBCYCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)21-14-7-5-4-6-11(14)13-9-8-12(15(17)18)16(20)19(13)3/h4-10H,1-3H3,(H3,17,18).
What are the key properties of 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 82518694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).