2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

C14H10N4O2 — CID 71725756

IUPAC2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc2c(=O)c3c(N)c(C#N)c(N)nc3oc2c1
InChIInChI=1S/C14H10N4O2/c1-6-2-3-7-9(4-6)20-14-10(12(7)19)11(16)8(5-15)13(17)18-14/h2-4H,1H3,(H4,16,17,18)
InChIKeyUGSMZAVFJPJVSR-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.69
Rot. Bonds

About 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 71725756) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID71725756
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc2c(=O)c3c(N)c(C#N)c(N)nc3oc2c1
InChIInChI=1S/C14H10N4O2/c1-6-2-3-7-9(4-6)20-14-10(12(7)19)11(16)8(5-15)13(17)18-14/h2-4H,1H3,(H4,16,17,18)
InChIKeyUGSMZAVFJPJVSR-UHFFFAOYSA-N
XLogP1.69
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
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'}

Analyze 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (CID 71725756) is 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is Cc1ccc2c(=O)c3c(N)c(C#N)c(N)nc3oc2c1.
What is the InChIKey of 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is UGSMZAVFJPJVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-6-2-3-7-9(4-6)20-14-10(12(7)19)11(16)8(5-15)13(17)18-14/h2-4H,1H3,(H4,16,17,18).
What are the key properties of 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 71725756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).