2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid

C11H13N3O2 — CID 118071795

IUPAC2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid
SMILESCCN(CCc1cccnc1C#N)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-2-14(11(15)16)7-5-9-4-3-6-13-10(9)8-12/h3-4,6H,2,5,7H2,1H3,(H,15,16)
InChIKeyZMOGOSOXNPNHEZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid

2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid (PubChem CID 118071795) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid
PubChem CID118071795
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid
SMILESCCN(CCc1cccnc1C#N)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-2-14(11(15)16)7-5-9-4-3-6-13-10(9)8-12/h3-4,6H,2,5,7H2,1H3,(H,15,16)
InChIKeyZMOGOSOXNPNHEZ-UHFFFAOYSA-N
XLogP1.50
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid?
The IUPAC name of 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid (CID 118071795) is 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid.
What is the SMILES notation for 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid?
The canonical SMILES for 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid is CCN(CCc1cccnc1C#N)C(=O)O.
What is the InChIKey of 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid?
The InChIKey is ZMOGOSOXNPNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-14(11(15)16)7-5-9-4-3-6-13-10(9)8-12/h3-4,6H,2,5,7H2,1H3,(H,15,16).
What are the key properties of 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid?
2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid has a molecular weight of 219.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid is sourced from PubChem (CID 118071795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).