2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate

C9H13N3O3 — CID 83205251

IUPAC2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
SMILESCOc1cc(NCCOC(N)=O)ccn1
InChIInChI=1S/C9H13N3O3/c1-14-8-6-7(2-3-12-8)11-4-5-15-9(10)13/h2-3,6H,4-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyIQAYIIHEQUZTQD-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.60
Rot. Bonds5

About 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate

2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate (PubChem CID 83205251) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
PubChem CID83205251
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
SMILESCOc1cc(NCCOC(N)=O)ccn1
InChIInChI=1S/C9H13N3O3/c1-14-8-6-7(2-3-12-8)11-4-5-15-9(10)13/h2-3,6H,4-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyIQAYIIHEQUZTQD-UHFFFAOYSA-N
XLogP0.60
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
4,4-difluoropent-2-enoyl-[2-[(2-methoxy-4-pyridinyl)amino]ethyl]azanium
CID 152897798
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
2-methoxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 130524601
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
3-methoxy-2-[(2-methoxy-4-pyridinyl)amino]propan-1-ol
CID 106186414
N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
CID 106177618
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate (CID 83205251) is 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate is COc1cc(NCCOC(N)=O)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate?
The InChIKey is IQAYIIHEQUZTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-8-6-7(2-3-12-8)11-4-5-15-9(10)13/h2-3,6H,4-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate?
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate is sourced from PubChem (CID 83205251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).