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

C22H21N3O3 — CID 121369118

IUPAC2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnc(N)cc2-3)c1
InChIInChI=1S/C22H21N3O3/c1-13(14-4-3-5-17(9-14)27-2)25-22(26)15-6-7-18-16(8-15)12-28-20-11-24-21(23)10-19(18)20/h3-11,13H,12H2,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1
InChIKeyBEPHQLKTGFSXCX-CYBMUJFWSA-N
MW375.43 g/mol
LogP3.72
Rot. Bonds4

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

2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121369118) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121369118
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnc(N)cc2-3)c1
InChIInChI=1S/C22H21N3O3/c1-13(14-4-3-5-17(9-14)27-2)25-22(26)15-6-7-18-16(8-15)12-28-20-11-24-21(23)10-19(18)20/h3-11,13H,12H2,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1
InChIKeyBEPHQLKTGFSXCX-CYBMUJFWSA-N
XLogP3.72
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide with MolForge

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Related Compounds

N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
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
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
US9914740, VIII-23
CID 121363616
US9914740, VIII-6
CID 121363758

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121369118) is 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnc(N)cc2-3)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is BEPHQLKTGFSXCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(14-4-3-5-17(9-14)27-2)25-22(26)15-6-7-18-16(8-15)12-28-20-11-24-21(23)10-19(18)20/h3-11,13H,12H2,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121369118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).