N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C21H17ClN2O2 — CID 121363689

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)COc1cnccc1-2)c1ccccc1Cl
InChIInChI=1S/C21H17ClN2O2/c1-13(16-4-2-3-5-19(16)22)24-21(25)14-6-7-17-15(10-14)12-26-20-11-23-9-8-18(17)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyUSLFLIWOEFKGJX-CYBMUJFWSA-N
MW364.83 g/mol
LogP4.79
Rot. Bonds3

About N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363689) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363689
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)COc1cnccc1-2)c1ccccc1Cl
InChIInChI=1S/C21H17ClN2O2/c1-13(16-4-2-3-5-19(16)22)24-21(25)14-6-7-17-15(10-14)12-26-20-11-23-9-8-18(17)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyUSLFLIWOEFKGJX-CYBMUJFWSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-
CID 656950
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(pyridin-3-yloxy)methyl]phenyl}propanoicacid
CID 9982348
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(2-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10480657
(S)-2-{[2''-Chloro-5-(pyridin-3-yloxymethyl)-biphenyl-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid
CID 10790576
N-Cyclopropyl-4-methyl-3-(4-(1-methylethoxy)-7-isoquinolinyl)benzamide
CID 25130181
6-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c] pyridine-8-carboxamide
CID 86566735
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
US9914740, VIII-8
CID 121363547
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 121363564

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363689) is N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)COc1cnccc1-2)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is USLFLIWOEFKGJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-13(16-4-2-3-5-19(16)22)24-21(25)14-6-7-17-15(10-14)12-26-20-11-23-9-8-18(17)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).