(4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C20H16N2O6 — CID 125433131

IUPAC(4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)CC(=O)O2
InChIInChI=1S/C20H16N2O6/c1-11-9-17-19(20(24)21(11)2)13(10-18(23)28-17)16-8-7-15(27-16)12-5-3-4-6-14(12)22(25)26/h3-9,13H,10H2,1-2H3/t13-/m1/s1
InChIKeyRVFKNAURQXVVIG-CYBMUJFWSA-N
MW380.36 g/mol
LogP3.30
Rot. Bonds3

About (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125433131) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125433131
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name(4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)CC(=O)O2
InChIInChI=1S/C20H16N2O6/c1-11-9-17-19(20(24)21(11)2)13(10-18(23)28-17)16-8-7-15(27-16)12-5-3-4-6-14(12)22(25)26/h3-9,13H,10H2,1-2H3/t13-/m1/s1
InChIKeyRVFKNAURQXVVIG-CYBMUJFWSA-N
XLogP3.30
TPSA104.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione 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 (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125433131) is (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)CC(=O)O2.
What is the InChIKey of (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is RVFKNAURQXVVIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-11-9-17-19(20(24)21(11)2)13(10-18(23)28-17)16-8-7-15(27-16)12-5-3-4-6-14(12)22(25)26/h3-9,13H,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 380.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125433131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).