N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H16N2O4 — CID 121363649

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H16N2O4/c24-21(23-9-13-1-4-18-20(7-13)27-12-26-18)14-2-3-17-16-5-6-22-10-15(16)11-25-19(17)8-14/h1-8,10H,9,11-12H2,(H,23,24)
InChIKeyKXWYAZWQNJEZOU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.30
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363649) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363649
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H16N2O4/c24-21(23-9-13-1-4-18-20(7-13)27-12-26-18)14-2-3-17-16-5-6-22-10-15(16)11-25-19(17)8-14/h1-8,10H,9,11-12H2,(H,23,24)
InChIKeyKXWYAZWQNJEZOU-UHFFFAOYSA-N
XLogP3.30
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363649) is N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is KXWYAZWQNJEZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-21(23-9-13-1-4-18-20(7-13)27-12-26-18)14-2-3-17-16-5-6-22-10-15(16)11-25-19(17)8-14/h1-8,10H,9,11-12H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).