6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione

C22H16N2O5 — CID 10667990

IUPAC6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H16N2O5/c1-14-11-20-19(21(25)23(14)13-15-5-3-2-4-6-15)12-18(22(26)29-20)16-7-9-17(10-8-16)24(27)28/h2-12H,13H2,1H3
InChIKeyMGXBZDINZBEUQS-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.89
Rot. Bonds4

About 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione

6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 10667990) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione
PubChem CID10667990
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H16N2O5/c1-14-11-20-19(21(25)23(14)13-15-5-3-2-4-6-15)12-18(22(26)29-20)16-7-9-17(10-8-16)24(27)28/h2-12H,13H2,1H3
InChIKeyMGXBZDINZBEUQS-UHFFFAOYSA-N
XLogP3.89
TPSA95.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione (CID 10667990) is 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is MGXBZDINZBEUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-14-11-20-19(21(25)23(14)13-15-5-3-2-4-6-15)12-18(22(26)29-20)16-7-9-17(10-8-16)24(27)28/h2-12H,13H2,1H3.
What are the key properties of 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione?
6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 388.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-methyl-3-(4-nitrophenyl)pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 10667990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).