N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C22H20N2O3 — CID 121363564

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
InChIInChI=1S/C22H20N2O3/c1-14(15-4-3-5-18(11-15)26-2)24-22(25)16-6-7-19-17(10-16)13-27-21-12-23-9-8-20(19)21/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyGKCYBFUIFHJFSO-CQSZACIVSA-N
MW360.41 g/mol
LogP4.14
Rot. Bonds4

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363564) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363564
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
InChIInChI=1S/C22H20N2O3/c1-14(15-4-3-5-18(11-15)26-2)24-22(25)16-6-7-19-17(10-16)13-27-21-12-23-9-8-20(19)21/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyGKCYBFUIFHJFSO-CQSZACIVSA-N
XLogP4.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363564) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnccc2-3)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is GKCYBFUIFHJFSO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14(15-4-3-5-18(11-15)26-2)24-22(25)16-6-7-19-17(10-16)13-27-21-12-23-9-8-20(19)21/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).