2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile

C19H12N2O3 — CID 2815057

IUPAC2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccccc1
InChIInChI=1S/C19H12N2O3/c20-10-13-15(11-6-2-1-3-7-11)16-17(24-18(13)21)12-8-4-5-9-14(12)23-19(16)22/h1-9,15H,21H2
InChIKeyTXMRXVTUYZRQML-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.01
Rot. Bonds1

About 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 2815057) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
PubChem CID2815057
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccccc1
InChIInChI=1S/C19H12N2O3/c20-10-13-15(11-6-2-1-3-7-11)16-17(24-18(13)21)12-8-4-5-9-14(12)23-19(16)22/h1-9,15H,21H2
InChIKeyTXMRXVTUYZRQML-UHFFFAOYSA-N
XLogP3.01
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-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

Related Compounds

(4R)-2-amino-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 673966
(4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680068
(4R)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680069
(4R)-2-amino-4-(4-tert-butylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 100817215
(4S)-2-amino-4-(3-methylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 765603
2-amino-4-(4-tert-butylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 102552229
2-amino-5-oxo-4-[4-(phenoxymethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 23856591
(4R)-2-amino-4-(3,4-difluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1099039
2-amino-4-[3,5-bis(trifluoromethyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 171662596
2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815055
(4S)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 689723
(4S)-2-amino-4-(furan-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 699303

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 2815057) is 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccccc1.
What is the InChIKey of 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The InChIKey is TXMRXVTUYZRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c20-10-13-15(11-6-2-1-3-7-11)16-17(24-18(13)21)12-8-4-5-9-14(12)23-19(16)22/h1-9,15H,21H2.
What are the key properties of 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 316.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 2815057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).