N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H16F2N2O3 — CID 121363723

IUPACN-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1F
InChIInChI=1S/C21H16F2N2O3/c1-27-18-5-4-17(22)16(20(18)23)10-25-21(26)12-2-3-15-14-6-7-24-9-13(14)11-28-19(15)8-12/h2-9H,10-11H2,1H3,(H,25,26)
InChIKeyPRSXMXLPPRSEIJ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.86
Rot. Bonds4

About N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363723) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363723
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1F
InChIInChI=1S/C21H16F2N2O3/c1-27-18-5-4-17(22)16(20(18)23)10-25-21(26)12-2-3-15-14-6-7-24-9-13(14)11-28-19(15)8-12/h2-9H,10-11H2,1H3,(H,25,26)
InChIKeyPRSXMXLPPRSEIJ-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363723) is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is COc1ccc(F)c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is PRSXMXLPPRSEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-27-18-5-4-17(22)16(20(18)23)10-25-21(26)12-2-3-15-14-6-7-24-9-13(14)11-28-19(15)8-12/h2-9H,10-11H2,1H3,(H,25,26).
What are the key properties of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).