N-(5-cyano-2-pyridinyl)-2-ethylhexanamide

C14H19N3O — CID 55063088

IUPACN-(5-cyano-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C14H19N3O/c1-3-5-6-12(4-2)14(18)17-13-8-7-11(9-15)10-16-13/h7-8,10,12H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyIOKODYWMRLQKIZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.11
Rot. Bonds6

About N-(5-cyano-2-pyridinyl)-2-ethylhexanamide

N-(5-cyano-2-pyridinyl)-2-ethylhexanamide (PubChem CID 55063088) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-ethylhexanamide
PubChem CID55063088
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(5-cyano-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C14H19N3O/c1-3-5-6-12(4-2)14(18)17-13-8-7-11(9-15)10-16-13/h7-8,10,12H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyIOKODYWMRLQKIZ-UHFFFAOYSA-N
XLogP3.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-ethylhexanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-ethylhexanamide (CID 55063088) is N-(5-cyano-2-pyridinyl)-2-ethylhexanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-ethylhexanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-ethylhexanamide?
The InChIKey is IOKODYWMRLQKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-5-6-12(4-2)14(18)17-13-8-7-11(9-15)10-16-13/h7-8,10,12H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-ethylhexanamide?
N-(5-cyano-2-pyridinyl)-2-ethylhexanamide has a molecular weight of 245.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-ethylhexanamide is sourced from PubChem (CID 55063088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).