4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide

C23H18N2O6 — CID 54690810

IUPAC4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide
SMILESCN(C(=O)c1c(N(C)c2ccccc2)oc(=O)c2c(O)cc(=O)oc12)c1ccccc1
InChIInChI=1S/C23H18N2O6/c1-24(14-9-5-3-6-10-14)21(28)19-20-18(16(26)13-17(27)30-20)23(29)31-22(19)25(2)15-11-7-4-8-12-15/h3-13,26H,1-2H3
InChIKeyBCXMEHCJGAGTQS-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.50
Rot. Bonds4

About 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide

4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide (PubChem CID 54690810) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide
PubChem CID54690810
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC Name4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide
SMILESCN(C(=O)c1c(N(C)c2ccccc2)oc(=O)c2c(O)cc(=O)oc12)c1ccccc1
InChIInChI=1S/C23H18N2O6/c1-24(14-9-5-3-6-10-14)21(28)19-20-18(16(26)13-17(27)30-20)23(29)31-22(19)25(2)15-11-7-4-8-12-15/h3-13,26H,1-2H3
InChIKeyBCXMEHCJGAGTQS-UHFFFAOYSA-N
XLogP3.50
TPSA104.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide (CID 54690810) is 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide is CN(C(=O)c1c(N(C)c2ccccc2)oc(=O)c2c(O)cc(=O)oc12)c1ccccc1.
What is the InChIKey of 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide?
The InChIKey is BCXMEHCJGAGTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c1-24(14-9-5-3-6-10-14)21(28)19-20-18(16(26)13-17(27)30-20)23(29)31-22(19)25(2)15-11-7-4-8-12-15/h3-13,26H,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide?
4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-7-(N-methylanilino)-2,5-dioxo-N-phenylpyrano[4,3-b]pyran-8-carboxamide is sourced from PubChem (CID 54690810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).