ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate

C10H14N2O2 — CID 12887749

IUPACethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1nc(C)ccc1C
InChIInChI=1S/C10H14N2O2/c1-4-14-10(13)12-9-7(2)5-6-8(3)11-9/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyKBGZVPINJVBBSL-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.27
Rot. Bonds2

About ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate

ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate (PubChem CID 12887749) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
PubChem CID12887749
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1nc(C)ccc1C
InChIInChI=1S/C10H14N2O2/c1-4-14-10(13)12-9-7(2)5-6-8(3)11-9/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyKBGZVPINJVBBSL-UHFFFAOYSA-N
XLogP2.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl 2-acetamido-6-methylpyridine-3-carboxylate
CID 12910047
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
N-ethyl-3,6-dimethylpyridin-2-amine
CID 146415622
ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
CID 13029756
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
ethyl 4-[(3-amino-6-methyl-2-pyridinyl)amino]butanoate
CID 81132121
ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate
CID 67273917
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
ethyl N-[6-fluoro-3-(2-sulfanylethynyl)-2-pyridinyl]carbamate
CID 143603151

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate?
The IUPAC name of ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate (CID 12887749) is ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate is CCOC(=O)Nc1nc(C)ccc1C.
What is the InChIKey of ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate?
The InChIKey is KBGZVPINJVBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-10(13)12-9-7(2)5-6-8(3)11-9/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate?
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate has a molecular weight of 194.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate is sourced from PubChem (CID 12887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).