ethyl N-(6-methyl-2-pyridinyl)carbamate

C9H12N2O2 — CID 5197559

IUPACethyl N-(6-methyl-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cccc(C)n1
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyIKLLPVCVBOXDTE-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(6-methyl-2-pyridinyl)carbamate

ethyl N-(6-methyl-2-pyridinyl)carbamate (PubChem CID 5197559) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl N-(6-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-methyl-2-pyridinyl)carbamate
PubChem CID5197559
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl N-(6-methyl-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cccc(C)n1
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyIKLLPVCVBOXDTE-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate
CID 11740067
ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
CID 133483913
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-methyl-2-pyridinyl)carbamate?
The IUPAC name of ethyl N-(6-methyl-2-pyridinyl)carbamate (CID 5197559) is ethyl N-(6-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(6-methyl-2-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(6-methyl-2-pyridinyl)carbamate is CCOC(=O)Nc1cccc(C)n1.
What is the InChIKey of ethyl N-(6-methyl-2-pyridinyl)carbamate?
The InChIKey is IKLLPVCVBOXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl N-(6-methyl-2-pyridinyl)carbamate?
ethyl N-(6-methyl-2-pyridinyl)carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 5197559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).