2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate

C9H12N2O3 — CID 175094358

IUPAC2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate
SMILESCc1cccnc1OCCOC(N)=O
InChIInChI=1S/C9H12N2O3/c1-7-3-2-4-11-8(7)13-5-6-14-9(10)12/h2-4H,5-6H2,1H3,(H2,10,12)
InChIKeyDLFVDVJPGHCCLN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.86
Rot. Bonds4

About 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate

2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate (PubChem CID 175094358) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate
PubChem CID175094358
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate
SMILESCc1cccnc1OCCOC(N)=O
InChIInChI=1S/C9H12N2O3/c1-7-3-2-4-11-8(7)13-5-6-14-9(10)12/h2-4H,5-6H2,1H3,(H2,10,12)
InChIKeyDLFVDVJPGHCCLN-UHFFFAOYSA-N
XLogP0.86
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3-methyl-2-pyridinyl)oxy]ethyl 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

N-methyl-2-[(3-methyl-2-pyridinyl)oxy]ethanamine
CID 62348489
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
(2-ethoxy-3-pyridinyl)methyl carbamate
CID 175042613
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818
(4-fluorophenyl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]phenyl]methanone
CID 57082208
trimethyl-[(3-methyl-2-pyridinyl)oxy]silane
CID 19788117
2-[(3-methyl-2-pyridinyl)oxy]pyridin-3-amine
CID 901895
2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
CID 65471386
2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 146404964
3-methyl-2-propan-2-yloxypyridine
CID 21334096

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate (CID 175094358) is 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate is Cc1cccnc1OCCOC(N)=O.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate?
The InChIKey is DLFVDVJPGHCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-3-2-4-11-8(7)13-5-6-14-9(10)12/h2-4H,5-6H2,1H3,(H2,10,12).
What are the key properties of 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate?
2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate has a molecular weight of 196.21 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)oxy]ethyl carbamate is sourced from PubChem (CID 175094358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).