2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

C11H15N3O3 — CID 54948629

IUPAC2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCN(CC(=O)NC)c1cc(C(=O)O)ccn1
InChIInChI=1S/C11H15N3O3/c1-3-14(7-10(15)12-2)9-6-8(11(16)17)4-5-13-9/h4-6H,3,7H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyXSSQFHYBZBTLOT-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.35
Rot. Bonds5

About 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 54948629) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID54948629
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCN(CC(=O)NC)c1cc(C(=O)O)ccn1
InChIInChI=1S/C11H15N3O3/c1-3-14(7-10(15)12-2)9-6-8(11(16)17)4-5-13-9/h4-6H,3,7H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyXSSQFHYBZBTLOT-UHFFFAOYSA-N
XLogP0.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80809279
2-[(6-aminopyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808495
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 54948629) is 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is CCN(CC(=O)NC)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is XSSQFHYBZBTLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-14(7-10(15)12-2)9-6-8(11(16)17)4-5-13-9/h4-6H,3,7H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 54948629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).