3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one

C15H12N2O3 — CID 160866226

IUPAC3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1N
InChIInChI=1S/C15H12N2O3/c1-7-3-4-12-10(5-7)13(19)11-6-9(8(2)18)14(16)17-15(11)20-12/h3-6H,1-2H3,(H2,16,17)
InChIKeySWHHWBFOSCXQAD-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.43
Rot. Bonds1

About 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one

3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one (PubChem CID 160866226) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
PubChem CID160866226
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1N
InChIInChI=1S/C15H12N2O3/c1-7-3-4-12-10(5-7)13(19)11-6-9(8(2)18)14(16)17-15(11)20-12/h3-6H,1-2H3,(H2,16,17)
InChIKeySWHHWBFOSCXQAD-UHFFFAOYSA-N
XLogP2.43
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one (CID 160866226) is 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one is CC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1N.
What is the InChIKey of 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one?
The InChIKey is SWHHWBFOSCXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-7-3-4-12-10(5-7)13(19)11-6-9(8(2)18)14(16)17-15(11)20-12/h3-6H,1-2H3,(H2,16,17).
What are the key properties of 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one?
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one has a molecular weight of 268.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 160866226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).