methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate

C8H11N3O2 — CID 115268442

IUPACmethyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(N)nc1
InChIInChI=1S/C8H11N3O2/c1-11(8(12)13-2)6-3-4-7(9)10-5-6/h3-5H,1-2H3,(H2,9,10)
InChIKeyLZJZCJUZNSMQPM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.87
Rot. Bonds1

About methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate

methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate (PubChem CID 115268442) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
PubChem CID115268442
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(N)nc1
InChIInChI=1S/C8H11N3O2/c1-11(8(12)13-2)6-3-4-7(9)10-5-6/h3-5H,1-2H3,(H2,9,10)
InChIKeyLZJZCJUZNSMQPM-UHFFFAOYSA-N
XLogP0.87
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
CID 115268417
N-(6-amino-3-pyridinyl)-N,3,4-trimethylbenzamide
CID 115268424
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025
N-(6-amino-3-pyridinyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115274565
N-(6-amino-3-pyridinyl)-N-methyl-1H-indole-3-carboxamide
CID 115274564
methyl N-(4-acetylphenyl)-N-methylcarbamate
CID 132820157
2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid
CID 154385194
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383
N-(6-amino-3-pyridinyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 115274616
N-(6-amino-3-pyridinyl)-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 115274591
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419223

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate?
The IUPAC name of methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate (CID 115268442) is methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate is COC(=O)N(C)c1ccc(N)nc1.
What is the InChIKey of methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate?
The InChIKey is LZJZCJUZNSMQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(8(12)13-2)6-3-4-7(9)10-5-6/h3-5H,1-2H3,(H2,9,10).
What are the key properties of methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate?
methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate has a molecular weight of 181.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 115268442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).