N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide

C12H13N3O — CID 44574291

IUPACN-(6-cyano-3-pyridinyl)cyclopentanecarboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCC2)cn1
InChIInChI=1S/C12H13N3O/c13-7-10-5-6-11(8-14-10)15-12(16)9-3-1-2-4-9/h5-6,8-9H,1-4H2,(H,15,16)
InChIKeyZYXDFHKBZQMKCM-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.08
Rot. Bonds2

About N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide

N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide (PubChem CID 44574291) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)cyclopentanecarboxamide
PubChem CID44574291
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(6-cyano-3-pyridinyl)cyclopentanecarboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCC2)cn1
InChIInChI=1S/C12H13N3O/c13-7-10-5-6-11(8-14-10)15-12(16)9-3-1-2-4-9/h5-6,8-9H,1-4H2,(H,15,16)
InChIKeyZYXDFHKBZQMKCM-UHFFFAOYSA-N
XLogP2.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide (CID 44574291) is N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide is N#Cc1ccc(NC(=O)C2CCCC2)cn1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide?
The InChIKey is ZYXDFHKBZQMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-10-5-6-11(8-14-10)15-12(16)9-3-1-2-4-9/h5-6,8-9H,1-4H2,(H,15,16).
What are the key properties of N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide?
N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)cyclopentanecarboxamide is sourced from PubChem (CID 44574291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).