1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone

C19H24N2O — CID 174893005

IUPAC1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone
SMILESCCCCc1ccc(NCCc2cccc(C(C)=O)n2)cc1
InChIInChI=1S/C19H24N2O/c1-3-4-6-16-9-11-17(12-10-16)20-14-13-18-7-5-8-19(21-18)15(2)22/h5,7-12,20H,3-4,6,13-14H2,1-2H3
InChIKeyGGLIQKXSBGGVGU-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.28
Rot. Bonds8

About 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone

1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone (PubChem CID 174893005) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone
PubChem CID174893005
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone
SMILESCCCCc1ccc(NCCc2cccc(C(C)=O)n2)cc1
InChIInChI=1S/C19H24N2O/c1-3-4-6-16-9-11-17(12-10-16)20-14-13-18-7-5-8-19(21-18)15(2)22/h5,7-12,20H,3-4,6,13-14H2,1-2H3
InChIKeyGGLIQKXSBGGVGU-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808
methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
CID 143472467
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
5-(4-butylanilino)pentan-1-ol
CID 62228069
1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane
CID 167486425
4-butyl-N-(2-methylprop-2-enyl)aniline
CID 62331325
2-methyl-2-[[4-[2-(4-pentylanilino)ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoic acid
CID 67396887
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
2-(4-butylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507571
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
4-butyl-N-(2-pyrazol-1-ylethyl)aniline
CID 54962348

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone (CID 174893005) is 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone is CCCCc1ccc(NCCc2cccc(C(C)=O)n2)cc1.
What is the InChIKey of 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone?
The InChIKey is GGLIQKXSBGGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-4-6-16-9-11-17(12-10-16)20-14-13-18-7-5-8-19(21-18)15(2)22/h5,7-12,20H,3-4,6,13-14H2,1-2H3.
What are the key properties of 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone?
1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone has a molecular weight of 296.41 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-butylanilino)ethyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 174893005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).