1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C11H11N3O — CID 80599426

IUPAC1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C11H11N3O/c12-8-11(4-5-11)10(15)14-7-9-3-1-2-6-13-9/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyZIPLBQIHLVYKFK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.00
Rot. Bonds3

About 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80599426) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80599426
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C11H11N3O/c12-8-11(4-5-11)10(15)14-7-9-3-1-2-6-13-9/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyZIPLBQIHLVYKFK-UHFFFAOYSA-N
XLogP1.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 80599426) is 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is N#CC1(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZIPLBQIHLVYKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-8-11(4-5-11)10(15)14-7-9-3-1-2-6-13-9/h1-3,6H,4-5,7H2,(H,14,15).
What are the key properties of 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80599426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).