[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C17H27N3O — CID 109151990

IUPAC[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCCCC2CC)cn1
InChIInChI=1S/C17H27N3O/c1-4-13(3)19-16-10-9-14(12-18-16)17(21)20-11-7-6-8-15(20)5-2/h9-10,12-13,15H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyAWJLWSZBIHTMCN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds5

About [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109151990) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109151990
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCCCC2CC)cn1
InChIInChI=1S/C17H27N3O/c1-4-13(3)19-16-10-9-14(12-18-16)17(21)20-11-7-6-8-15(20)5-2/h9-10,12-13,15H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyAWJLWSZBIHTMCN-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109161686
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
CID 109161690
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109151990) is [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC(C)Nc1ccc(C(=O)N2CCCCC2CC)cn1.
What is the InChIKey of [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is AWJLWSZBIHTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-13(3)19-16-10-9-14(12-18-16)17(21)20-11-7-6-8-15(20)5-2/h9-10,12-13,15H,4-8,11H2,1-3H3,(H,18,19).
What are the key properties of [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109151990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).