4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid

C10H15N3O3 — CID 165457696

IUPAC4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCCN(CC)c1[nH]c(=O)cc(N)c1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)9-8(10(15)16)6(11)5-7(14)12-9/h5H,3-4H2,1-2H3,(H,15,16)(H3,11,12,14)
InChIKeyJTISHYYGAFXEFU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.50
Rot. Bonds4

About 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid

4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 165457696) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID165457696
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCCN(CC)c1[nH]c(=O)cc(N)c1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)9-8(10(15)16)6(11)5-7(14)12-9/h5H,3-4H2,1-2H3,(H,15,16)(H3,11,12,14)
InChIKeyJTISHYYGAFXEFU-UHFFFAOYSA-N
XLogP0.50
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid (CID 165457696) is 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid is CCN(CC)c1[nH]c(=O)cc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is JTISHYYGAFXEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(4-2)9-8(10(15)16)6(11)5-7(14)12-9/h5H,3-4H2,1-2H3,(H,15,16)(H3,11,12,14).
What are the key properties of 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid?
4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 165457696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).