2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid

C13H20N2O3 — CID 60677761

IUPAC2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCOCCCNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-18-7-5-6-14-12-11(13(16)17)9(2)8-10(3)15-12/h8H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyIOOWZFFEUQBIGT-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.24
Rot. Bonds7

About 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60677761) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60677761
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCOCCCNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-18-7-5-6-14-12-11(13(16)17)9(2)8-10(3)15-12/h8H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyIOOWZFFEUQBIGT-UHFFFAOYSA-N
XLogP2.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
4,6-dimethyl-2-(4-methylsulfanylbutylamino)pyridine-3-carboxylic acid
CID 113487696
4,6-dimethyl-2-(5-methylsulfanylpentylamino)pyridine-3-carboxylic acid
CID 114127926
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705
4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 60677525
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61004045
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
2-(2-ethoxyethylsulfanyl)-4,6-dimethylpyridine-3-carboxylic acid
CID 60676413
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 60677761) is 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid is CCOCCCNc1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is IOOWZFFEUQBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-7-5-6-14-12-11(13(16)17)9(2)8-10(3)15-12/h8H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60677761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).