2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C15H13N3O4 — CID 12852146

IUPAC2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCN(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21)
InChIKeyLMYWODFJWTXJTI-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.69
Rot. Bonds2

About 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 12852146) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID12852146
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCN(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21)
InChIKeyLMYWODFJWTXJTI-UHFFFAOYSA-N
XLogP1.69
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 12852146) is 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is CN(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is LMYWODFJWTXJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21).
What are the key properties of 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 12852146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).