N-(3-chloro-2-pyridinyl)-2-ethylhexanamide

C13H19ClN2O — CID 103943579

IUPACN-(3-chloro-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-5-7-10(4-2)13(17)16-12-11(14)8-6-9-15-12/h6,8-10H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyQNPBSRHPOVEZGJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.89
Rot. Bonds6

About N-(3-chloro-2-pyridinyl)-2-ethylhexanamide

N-(3-chloro-2-pyridinyl)-2-ethylhexanamide (PubChem CID 103943579) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-ethylhexanamide
PubChem CID103943579
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(3-chloro-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-5-7-10(4-2)13(17)16-12-11(14)8-6-9-15-12/h6,8-10H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyQNPBSRHPOVEZGJ-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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Related Compounds

2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
N-(3-chloro-2-pyridinyl)-2-cyanobutanamide
CID 103094355
2-ethyl-N-(1H-imidazol-2-yl)hexanamide
CID 63565385
1-(2-chloro-3-pyridinyl)-2-ethylhexan-1-one
CID 91608208
2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393178
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
2-ethyl-N-(4-methyl-2-pyridinyl)hexanamide
CID 4195795
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
CID 107301300

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-ethylhexanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-ethylhexanamide (CID 103943579) is N-(3-chloro-2-pyridinyl)-2-ethylhexanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-ethylhexanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-ethylhexanamide?
The InChIKey is QNPBSRHPOVEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-5-7-10(4-2)13(17)16-12-11(14)8-6-9-15-12/h6,8-10H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-ethylhexanamide?
N-(3-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-(3-chloro-2-pyridinyl)-2-ethylhexanamide is sourced from PubChem (CID 103943579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).