ethyl N-(6-deuterio-3-pyridinyl)carbamate

C8H10N2O2 — CID 175880525

IUPACethyl N-(6-deuterio-3-pyridinyl)carbamate
SMILES[2H]c1ccc(NC(=O)OCC)cn1
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)/i5D
InChIKeyYLRSARVOZNPQKX-UICOGKGYSA-N
MW167.19 g/mol
LogP1.65
Rot. Bonds2

About ethyl N-(6-deuterio-3-pyridinyl)carbamate

ethyl N-(6-deuterio-3-pyridinyl)carbamate (PubChem CID 175880525) has the molecular formula C8H10N2O2 and a molecular weight of 167.19 g/mol. Its IUPAC name is ethyl N-(6-deuterio-3-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-deuterio-3-pyridinyl)carbamate
PubChem CID175880525
Molecular FormulaC8H10N2O2
Molecular Weight167.19 g/mol
Exact Mass167.08
IUPAC Nameethyl N-(6-deuterio-3-pyridinyl)carbamate
SMILES[2H]c1ccc(NC(=O)OCC)cn1
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)/i5D
InChIKeyYLRSARVOZNPQKX-UICOGKGYSA-N
XLogP1.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(6-deuterio-3-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 6-deuteriopyridine-3-carboxylate
CID 42612866
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
ethyl N-(1-oxidopyridin-1-ium-3-yl)carbamate
CID 602650
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
potassium;carbanide;ethyl N-phenylcarbamate
CID 178128429

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-deuterio-3-pyridinyl)carbamate?
The IUPAC name of ethyl N-(6-deuterio-3-pyridinyl)carbamate (CID 175880525) is ethyl N-(6-deuterio-3-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(6-deuterio-3-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(6-deuterio-3-pyridinyl)carbamate is [2H]c1ccc(NC(=O)OCC)cn1.
What is the InChIKey of ethyl N-(6-deuterio-3-pyridinyl)carbamate?
The InChIKey is YLRSARVOZNPQKX-UICOGKGYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)/i5D.
What are the key properties of ethyl N-(6-deuterio-3-pyridinyl)carbamate?
ethyl N-(6-deuterio-3-pyridinyl)carbamate has a molecular weight of 167.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-deuterio-3-pyridinyl)carbamate is sourced from PubChem (CID 175880525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).