methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate

C20H25N3O4 — CID 134530895

IUPACmethyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1cc2c(cn1)OCc1cc(OC[C@@H](N)CC(C)C)ccc1-2
InChIInChI=1S/C20H25N3O4/c1-12(2)6-14(21)11-26-15-4-5-16-13(7-15)10-27-18-9-22-19(8-17(16)18)23-20(24)25-3/h4-5,7-9,12,14H,6,10-11,21H2,1-3H3,(H,22,23,24)/t14-/m0/s1
InChIKeyKCZATVLHYNGXOE-AWEZNQCLSA-N
MW371.44 g/mol
LogP3.57
Rot. Bonds6

About methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate

methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate (PubChem CID 134530895) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
PubChem CID134530895
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namemethyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1cc2c(cn1)OCc1cc(OC[C@@H](N)CC(C)C)ccc1-2
InChIInChI=1S/C20H25N3O4/c1-12(2)6-14(21)11-26-15-4-5-16-13(7-15)10-27-18-9-22-19(8-17(16)18)23-20(24)25-3/h4-5,7-9,12,14H,6,10-11,21H2,1-3H3,(H,22,23,24)/t14-/m0/s1
InChIKeyKCZATVLHYNGXOE-AWEZNQCLSA-N
XLogP3.57
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[8-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530901
N-[8-[(2R)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520651
N-[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134324046
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520625
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]carbamic acid
CID 134324061
[(2S)-1-[(2-acetamido-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-yl]-tert-butylcarbamic acid
CID 138617301
methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
CID 145168244
2-[[1-[(2-amino-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamoyl]benzoic acid
CID 134324114
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 130389284
8-[(2S)-2-amino-4-methylpentoxy]-5H-chromeno[3,4-c]pyridine-9-carbonitrile;tert-butyl N-[(2S)-1-[(9-cyano-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 157242930
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684

Frequently Asked Questions

What is the IUPAC name of methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate (CID 134530895) is methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate is COC(=O)Nc1cc2c(cn1)OCc1cc(OC[C@@H](N)CC(C)C)ccc1-2.
What is the InChIKey of methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate?
The InChIKey is KCZATVLHYNGXOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(2)6-14(21)11-26-15-4-5-16-13(7-15)10-27-18-9-22-19(8-17(16)18)23-20(24)25-3/h4-5,7-9,12,14H,6,10-11,21H2,1-3H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate?
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate has a molecular weight of 371.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 134530895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).