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

C13H19ClN2O — CID 645923

IUPACN-(5-chloro-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN2O/c1-3-5-6-10(4-2)13(17)16-12-8-7-11(14)9-15-12/h7-10H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyYPIHJUGHBJHIDK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.89
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-ethylhexanamide (PubChem CID 645923) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-ethylhexanamide
PubChem CID645923
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(5-chloro-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN2O/c1-3-5-6-10(4-2)13(17)16-12-8-7-11(14)9-15-12/h7-10H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyYPIHJUGHBJHIDK-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethylhexanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethylhexanamide (CID 645923) is N-(5-chloro-2-pyridinyl)-2-ethylhexanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-ethylhexanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-ethylhexanamide?
The InChIKey is YPIHJUGHBJHIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-5-6-10(4-2)13(17)16-12-8-7-11(14)9-15-12/h7-10H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-ethylhexanamide?
N-(5-chloro-2-pyridinyl)-2-ethylhexanamide has a molecular weight of 254.76 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-ethylhexanamide is sourced from PubChem (CID 645923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).