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

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Related Compounds

3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
3-[(2-cyano-3-pyridinyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65264867
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926

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).