N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide

C15H17N3O — CID 166272703

IUPACN-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide
SMILESN#Cc1cnccc1NC(=O)C1CCCC12CCC2
InChIInChI=1S/C15H17N3O/c16-9-11-10-17-8-4-13(11)18-14(19)12-3-1-5-15(12)6-2-7-15/h4,8,10,12H,1-3,5-7H2,(H,17,18,19)
InChIKeyLZJPAOQPIZBUFH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.86
Rot. Bonds2

About N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide

N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide (PubChem CID 166272703) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide
PubChem CID166272703
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide
SMILESN#Cc1cnccc1NC(=O)C1CCCC12CCC2
InChIInChI=1S/C15H17N3O/c16-9-11-10-17-8-4-13(11)18-14(19)12-3-1-5-15(12)6-2-7-15/h4,8,10,12H,1-3,5-7H2,(H,17,18,19)
InChIKeyLZJPAOQPIZBUFH-UHFFFAOYSA-N
XLogP2.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide?
The IUPAC name of N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide (CID 166272703) is N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide is N#Cc1cnccc1NC(=O)C1CCCC12CCC2.
What is the InChIKey of N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide?
The InChIKey is LZJPAOQPIZBUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-9-11-10-17-8-4-13(11)18-14(19)12-3-1-5-15(12)6-2-7-15/h4,8,10,12H,1-3,5-7H2,(H,17,18,19).
What are the key properties of N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide?
N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 166272703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).