N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H18N2O4S — CID 121363528

IUPACN-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C21H18N2O4S/c1-28(25,26)17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-27-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyQUMZTZTXCMBNTJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.97
Rot. Bonds4

About N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363528) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363528
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C21H18N2O4S/c1-28(25,26)17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-27-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyQUMZTZTXCMBNTJ-UHFFFAOYSA-N
XLogP2.97
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363528) is N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is CS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1.
What is the InChIKey of N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is QUMZTZTXCMBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-28(25,26)17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-27-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24).
What are the key properties of N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfonylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).