tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate

C13H19ClN2O2 — CID 165411532

IUPACtert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cnc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O2/c1-6-16(12(17)18-13(3,4)5)10-8-15-11(14)7-9(10)2/h7-8H,6H2,1-5H3
InChIKeyXIOFLRPMSUFDCU-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate

tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate (PubChem CID 165411532) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
PubChem CID165411532
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Nametert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cnc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O2/c1-6-16(12(17)18-13(3,4)5)10-8-15-11(14)7-9(10)2/h7-8H,6H2,1-5H3
InChIKeyXIOFLRPMSUFDCU-UHFFFAOYSA-N
XLogP3.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3,4-dichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-ethylcarbamate
CID 140943966
[3-chloro-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]boronic acid
CID 150875180
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285
tert-butyl N-(3-chloro-5-propan-2-ylisoquinolin-8-yl)-N-methylcarbamate
CID 166549928
2-[2,4,5-trichloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 70863837
tert-butyl N-(5-chloro-2-methylphenyl)-N-(2-methylprop-2-enyl)carbamate;ethane
CID 144619806
tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622440
ethyl 2-chloro-5-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]pyridine-4-carboxylate
CID 167022503
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate (CID 165411532) is tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)c1cnc(Cl)cc1C.
What is the InChIKey of tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate?
The InChIKey is XIOFLRPMSUFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-6-16(12(17)18-13(3,4)5)10-8-15-11(14)7-9(10)2/h7-8H,6H2,1-5H3.
What are the key properties of tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate?
tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate has a molecular weight of 270.76 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate is sourced from PubChem (CID 165411532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).