methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate

C9H10N2O4 — CID 138436775

IUPACmethyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
SMILESCOC(=O)N(C(=O)OC)c1cccnc1
InChIInChI=1S/C9H10N2O4/c1-14-8(12)11(9(13)15-2)7-4-3-5-10-6-7/h3-6H,1-2H3
InChIKeyAIPWJCZKKDUJTA-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.42
Rot. Bonds1

About methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate

methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate (PubChem CID 138436775) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Namemethyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
PubChem CID138436775
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
SMILESCOC(=O)N(C(=O)OC)c1cccnc1
InChIInChI=1S/C9H10N2O4/c1-14-8(12)11(9(13)15-2)7-4-3-5-10-6-7/h3-6H,1-2H3
InChIKeyAIPWJCZKKDUJTA-UHFFFAOYSA-N
XLogP1.42
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(111C)methyl pyridine-3-carboxylate
CID 11309537
CID 22254315
CID 22254315
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
O-methyl N-amino-N-pyridin-3-ylcarbamothioate
CID 87434282
3-(4-methoxycarbonyl-N-sulfinatoanilino)pyridine
CID 69409174
methyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 112579053
methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
CID 113333029
3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea
CID 76548093
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
1,3-diaminourea;3-methoxypyridine
CID 175323453
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
2-amino-3-methoxy-N-methyl-N-pyridin-3-ylpropanamide
CID 81088465

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate?
The IUPAC name of methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate (CID 138436775) is methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate.
What is the SMILES notation for methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate?
The canonical SMILES for methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate is COC(=O)N(C(=O)OC)c1cccnc1.
What is the InChIKey of methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate?
The InChIKey is AIPWJCZKKDUJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-14-8(12)11(9(13)15-2)7-4-3-5-10-6-7/h3-6H,1-2H3.
What are the key properties of methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate?
methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate has a molecular weight of 210.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate is sourced from PubChem (CID 138436775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).