5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid

C11H18N4O2 — CID 114406408

IUPAC5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCCN(C)CCNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C11H18N4O2/c1-3-15(2)7-6-13-10-8(12)4-5-9(14-10)11(16)17/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyNEMSFSIAXKQVDG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.73
Rot. Bonds6

About 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid

5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid (PubChem CID 114406408) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
PubChem CID114406408
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCCN(C)CCNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C11H18N4O2/c1-3-15(2)7-6-13-10-8(12)4-5-9(14-10)11(16)17/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyNEMSFSIAXKQVDG-UHFFFAOYSA-N
XLogP0.73
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
6-[2-[ethyl(methyl)amino]ethylamino]pyridazine-3-carboxylic acid
CID 62634269
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683
3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
CID 62710303

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid (CID 114406408) is 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid is CCN(C)CCNc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is NEMSFSIAXKQVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-15(2)7-6-13-10-8(12)4-5-9(14-10)11(16)17/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114406408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).