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

C11H16N4O3 — CID 114090177

IUPAC5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCN(CC(=O)NC)c1cc(C(=O)O)c(N)cn1
InChIInChI=1S/C11H16N4O3/c1-3-15(6-10(16)13-2)9-4-7(11(17)18)8(12)5-14-9/h4-5H,3,6,12H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyVAXRQXAEISRAEA-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.07
Rot. Bonds5

About 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 114090177) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID114090177
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCN(CC(=O)NC)c1cc(C(=O)O)c(N)cn1
InChIInChI=1S/C11H16N4O3/c1-3-15(6-10(16)13-2)9-4-7(11(17)18)8(12)5-14-9/h4-5H,3,6,12H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyVAXRQXAEISRAEA-UHFFFAOYSA-N
XLogP-0.07
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 114090177) is 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is CCN(CC(=O)NC)c1cc(C(=O)O)c(N)cn1.
What is the InChIKey of 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is VAXRQXAEISRAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-15(6-10(16)13-2)9-4-7(11(17)18)8(12)5-14-9/h4-5H,3,6,12H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114090177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).