2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate

C10H15N3O3 — CID 175409898

IUPAC2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate
SMILESNCCc1cccn(CCOC(N)=O)c1=O
InChIInChI=1S/C10H15N3O3/c11-4-3-8-2-1-5-13(9(8)14)6-7-16-10(12)15/h1-2,5H,3-4,6-7,11H2,(H2,12,15)
InChIKeyKWYMTJCYHOJBAI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.56
Rot. Bonds5

About 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate

2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate (PubChem CID 175409898) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate
PubChem CID175409898
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate
SMILESNCCc1cccn(CCOC(N)=O)c1=O
InChIInChI=1S/C10H15N3O3/c11-4-3-8-2-1-5-13(9(8)14)6-7-16-10(12)15/h1-2,5H,3-4,6-7,11H2,(H2,12,15)
InChIKeyKWYMTJCYHOJBAI-UHFFFAOYSA-N
XLogP-0.56
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate?
The IUPAC name of 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate (CID 175409898) is 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate?
The canonical SMILES for 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate is NCCc1cccn(CCOC(N)=O)c1=O.
What is the InChIKey of 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate?
The InChIKey is KWYMTJCYHOJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-4-3-8-2-1-5-13(9(8)14)6-7-16-10(12)15/h1-2,5H,3-4,6-7,11H2,(H2,12,15).
What are the key properties of 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate?
2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate has a molecular weight of 225.25 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate is sourced from PubChem (CID 175409898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).