1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone

C13H20N2O — CID 83120329

IUPAC1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
SMILESCCC(C)N(CC)c1ccc(C(C)=O)nc1
InChIInChI=1S/C13H20N2O/c1-5-10(3)15(6-2)12-7-8-13(11(4)16)14-9-12/h7-10H,5-6H2,1-4H3
InChIKeyOIXXBEMDFXBREA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.91
Rot. Bonds5

About 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone

1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone (PubChem CID 83120329) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
PubChem CID83120329
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
SMILESCCC(C)N(CC)c1ccc(C(C)=O)nc1
InChIInChI=1S/C13H20N2O/c1-5-10(3)15(6-2)12-7-8-13(11(4)16)14-9-12/h7-10H,5-6H2,1-4H3
InChIKeyOIXXBEMDFXBREA-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119677
1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone
CID 83119666
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
CID 112583609
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822

Frequently Asked Questions

What is the IUPAC name of 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone (CID 83120329) is 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone is CCC(C)N(CC)c1ccc(C(C)=O)nc1.
What is the InChIKey of 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone?
The InChIKey is OIXXBEMDFXBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10(3)15(6-2)12-7-8-13(11(4)16)14-9-12/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone?
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 83120329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).