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

C13H8N4O2 — CID 71372426

IUPAC2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2oc3ccccc3c(=O)c2c1N
InChIInChI=1S/C13H8N4O2/c14-5-7-10(15)9-11(18)6-3-1-2-4-8(6)19-13(9)17-12(7)16/h1-4H,(H4,15,16,17)
InChIKeyIIJTXPACYMMNMJ-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.38
Rot. Bonds

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

2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 71372426) has the molecular formula C13H8N4O2 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID71372426
Molecular FormulaC13H8N4O2
Molecular Weight252.23 g/mol
Exact Mass252.06
IUPAC Name2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2oc3ccccc3c(=O)c2c1N
InChIInChI=1S/C13H8N4O2/c14-5-7-10(15)9-11(18)6-3-1-2-4-8(6)19-13(9)17-12(7)16/h1-4H,(H4,15,16,17)
InChIKeyIIJTXPACYMMNMJ-UHFFFAOYSA-N
XLogP1.38
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.38
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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Related Compounds

2,4-diamino-8-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 71725756
5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile
CID 134975220
4-hydrazinyl-2-oxochromene-3-carbonitrile
CID 71337522
2-ethyl-4-oxochromene-3-carbonitrile
CID 102579893
2,4-diamino-6-[1-(4-oxo-2-phenylchromen-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 122542387
7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile
CID 2817118
2-benzyl-4-oxochromene-3-carbonitrile
CID 102579889
2-(4-tert-butylphenyl)-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 7996574
1-aminooxyxanthen-9-one
CID 163930862
1-aminobenzo[a]xanthen-12-one
CID 163931413
chromeno[2,3-b]pyridin-5-one
CID 659312
11-amino-15-(2-hydroxy-3-methoxyphenyl)-5-oxo-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaene-12-carbonitrile
CID 172676367

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (CID 71372426) is 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2oc3ccccc3c(=O)c2c1N.
What is the InChIKey of 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is IIJTXPACYMMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2/c14-5-7-10(15)9-11(18)6-3-1-2-4-8(6)19-13(9)17-12(7)16/h1-4H,(H4,15,16,17).
What are the key properties of 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 252.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 71372426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).