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

C21H19N3O4S — CID 121363668

IUPACN-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C21H19N3O4S/c1-29(26,27)24-17-4-2-3-14(9-17)11-23-21(25)15-5-6-19-18-7-8-22-12-16(18)13-28-20(19)10-15/h2-10,12,24H,11,13H2,1H3,(H,23,25)
InChIKeyLECIBVOMRGSMSA-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.94
Rot. Bonds5

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

N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363668) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363668
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C21H19N3O4S/c1-29(26,27)24-17-4-2-3-14(9-17)11-23-21(25)15-5-6-19-18-7-8-22-12-16(18)13-28-20(19)10-15/h2-10,12,24H,11,13H2,1H3,(H,23,25)
InChIKeyLECIBVOMRGSMSA-UHFFFAOYSA-N
XLogP2.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363668) is N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1.
What is the InChIKey of N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is LECIBVOMRGSMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-29(26,27)24-17-4-2-3-14(9-17)11-23-21(25)15-5-6-19-18-7-8-22-12-16(18)13-28-20(19)10-15/h2-10,12,24H,11,13H2,1H3,(H,23,25).
What are the key properties of N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methanesulfonamido)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).