2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C14H12N4O2 — CID 10468223

IUPAC2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1cccc2c1Oc1nc(N)c(C#N)c(N)c1C2
InChIInChI=1S/C14H12N4O2/c1-19-10-4-2-3-7-5-8-11(16)9(6-15)13(17)18-14(8)20-12(7)10/h2-4H,5H2,1H3,(H4,16,17,18)
InChIKeyNIUBKLABDYSZKA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.82
Rot. Bonds1

About 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 10468223) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID10468223
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1cccc2c1Oc1nc(N)c(C#N)c(N)c1C2
InChIInChI=1S/C14H12N4O2/c1-19-10-4-2-3-7-5-8-11(16)9(6-15)13(17)18-14(8)20-12(7)10/h2-4H,5H2,1H3,(H4,16,17,18)
InChIKeyNIUBKLABDYSZKA-UHFFFAOYSA-N
XLogP1.82
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-9-methoxy-5H-chromeno[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-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 10468223) is 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is COc1cccc2c1Oc1nc(N)c(C#N)c(N)c1C2.
What is the InChIKey of 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is NIUBKLABDYSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-19-10-4-2-3-7-5-8-11(16)9(6-15)13(17)18-14(8)20-12(7)10/h2-4H,5H2,1H3,(H4,16,17,18).
What are the key properties of 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10468223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).