2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

C16H14N2O4 — CID 2161

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IUPAC2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeySGRYPYWGNKJSDL-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid

2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 2161) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID2161
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeySGRYPYWGNKJSDL-UHFFFAOYSA-N
XLogP2.74
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one
CID 15571843
2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130275496
2-Amino-7-(1,1-dioxothian-4-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130276782
methyl 2-ethyl-7-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1478328
ethyl 2,7-dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1478332
2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
CID 1475283
2-Amino-7-ethyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
CID 619587
2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
CID 622082
2-Amino-7,9-dimethyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carbonitrile
CID 703042
2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130293154
2,7-dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
CID 1478334
2-Amino-7-(dimethylamino)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 12852146

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid (CID 2161) is 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid is CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is SGRYPYWGNKJSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21).
What are the key properties of 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid?
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 2161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).