2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile

C19H11N3O3 — CID 2844707

IUPAC2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)C1c1cccnc1
InChIInChI=1S/C19H11N3O3/c20-8-13-14(10-4-3-7-22-9-10)15-16(23)11-5-1-2-6-12(11)17(24)18(15)25-19(13)21/h1-7,9,14H,21H2
InChIKeyIKSQLSIBENYRML-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.22
Rot. Bonds1

About 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile

2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile (PubChem CID 2844707) has the molecular formula C19H11N3O3 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile
PubChem CID2844707
Molecular FormulaC19H11N3O3
Molecular Weight329.31 g/mol
Exact Mass329.08
IUPAC Name2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)C1c1cccnc1
InChIInChI=1S/C19H11N3O3/c20-8-13-14(10-4-3-7-22-9-10)15-16(23)11-5-1-2-6-12(11)17(24)18(15)25-19(13)21/h1-7,9,14H,21H2
InChIKeyIKSQLSIBENYRML-UHFFFAOYSA-N
XLogP2.22
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile (CID 2844707) is 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)C1c1cccnc1.
What is the InChIKey of 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
The InChIKey is IKSQLSIBENYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O3/c20-8-13-14(10-4-3-7-22-9-10)15-16(23)11-5-1-2-6-12(11)17(24)18(15)25-19(13)21/h1-7,9,14H,21H2.
What are the key properties of 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile?
2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile has a molecular weight of 329.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,10-dioxo-4-pyridin-3-yl-4H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 2844707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).