N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide

C14H22N2O — CID 115612776

IUPACN-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
SMILESCCC(CC)CNC(=O)CCc1cccnc1
InChIInChI=1S/C14H22N2O/c1-3-12(4-2)11-16-14(17)8-7-13-6-5-9-15-10-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,16,17)
InChIKeyUEIGSQBDSAOUDX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds7

About N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide

N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide (PubChem CID 115612776) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
PubChem CID115612776
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
SMILESCCC(CC)CNC(=O)CCc1cccnc1
InChIInChI=1S/C14H22N2O/c1-3-12(4-2)11-16-14(17)8-7-13-6-5-9-15-10-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,16,17)
InChIKeyUEIGSQBDSAOUDX-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
CID 111566159
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
1-(2-ethylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111891206
(2S)-2-hydroxy-4-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 107834523
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide
CID 103772608
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide (CID 115612776) is N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide is CCC(CC)CNC(=O)CCc1cccnc1.
What is the InChIKey of N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide?
The InChIKey is UEIGSQBDSAOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-12(4-2)11-16-14(17)8-7-13-6-5-9-15-10-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide?
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 115612776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).