2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile

C10H11N3O — CID 164559319

IUPAC2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C10H11N3O/c11-3-4-13-6-8(7-1-2-7)5-9(12)10(13)14/h5-7H,1-2,4,12H2
InChIKeySZYLITKQKJASQF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.83
Rot. Bonds2

About 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile

2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 164559319) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile
PubChem CID164559319
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C10H11N3O/c11-3-4-13-6-8(7-1-2-7)5-9(12)10(13)14/h5-7H,1-2,4,12H2
InChIKeySZYLITKQKJASQF-UHFFFAOYSA-N
XLogP0.83
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile (CID 164559319) is 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile is N#CCn1cc(C2CC2)cc(N)c1=O.
What is the InChIKey of 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is SZYLITKQKJASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-3-4-13-6-8(7-1-2-7)5-9(12)10(13)14/h5-7H,1-2,4,12H2.
What are the key properties of 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile?
2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 164559319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).