methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate

C16H17N3O2 — CID 113013155

IUPACmethyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H17N3O2/c1-21-16(20)18-14-6-7-15(17-10-14)19-9-8-12-4-2-3-5-13(12)11-19/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyHIDWYJLITJPEIZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.82
Rot. Bonds2

About methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate

methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate (PubChem CID 113013155) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
PubChem CID113013155
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Namemethyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H17N3O2/c1-21-16(20)18-14-6-7-15(17-10-14)19-9-8-12-4-2-3-5-13(12)11-19/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyHIDWYJLITJPEIZ-UHFFFAOYSA-N
XLogP2.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]benzamide
CID 113013137
1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 113013160
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]cyclohexanecarboxamide
CID 113013105
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
2-(4-chlorophenoxy)-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]acetamide
CID 113013135
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 113013165
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide;hydrochloride
CID 141068267
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042446
methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
CID 66457745

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate (CID 113013155) is methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate?
The InChIKey is HIDWYJLITJPEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-16(20)18-14-6-7-15(17-10-14)19-9-8-12-4-2-3-5-13(12)11-19/h2-7,10H,8-9,11H2,1H3,(H,18,20).
What are the key properties of methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate?
methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 113013155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).