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

C20H25N3O4 — CID 145168244

IUPACmethyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
SMILESCOC(=O)Nc1nccc2c1OCc1cc(OCC(C)CC(C)N)ccc1-2
InChIInChI=1S/C20H25N3O4/c1-12(8-13(2)21)10-26-15-4-5-16-14(9-15)11-27-18-17(16)6-7-22-19(18)23-20(24)25-3/h4-7,9,12-13H,8,10-11,21H2,1-3H3,(H,22,23,24)
InChIKeySEIMIDMQNLLCCE-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.57
Rot. Bonds6

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

methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate (PubChem CID 145168244) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
PubChem CID145168244
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namemethyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
SMILESCOC(=O)Nc1nccc2c1OCc1cc(OCC(C)CC(C)N)ccc1-2
InChIInChI=1S/C20H25N3O4/c1-12(8-13(2)21)10-26-15-4-5-16-14(9-15)11-27-18-17(16)6-7-22-19(18)23-20(24)25-3/h4-7,9,12-13H,8,10-11,21H2,1-3H3,(H,22,23,24)
InChIKeySEIMIDMQNLLCCE-UHFFFAOYSA-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-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate with MolForge

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Related Compounds

[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamic acid
CID 134323996
8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine
CID 138650831
5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324080
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 144806668
methyl N-[7-cyano-8-(2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 123493112
(2S)-1-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134520693
methyl N-[8-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530901
(4S)-5-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324039
5-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324038
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520625
N-[8-[(2R)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520651

Frequently Asked Questions

What is the IUPAC name of methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate?
The IUPAC name of methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate (CID 145168244) is methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate.
What is the SMILES notation for methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate?
The canonical SMILES for methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate is COC(=O)Nc1nccc2c1OCc1cc(OCC(C)CC(C)N)ccc1-2.
What is the InChIKey of methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate?
The InChIKey is SEIMIDMQNLLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(8-13(2)21)10-26-15-4-5-16-14(9-15)11-27-18-17(16)6-7-22-19(18)23-20(24)25-3/h4-7,9,12-13H,8,10-11,21H2,1-3H3,(H,22,23,24).
What are the key properties of methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate?
methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-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-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate is sourced from PubChem (CID 145168244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).