[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C21H26ClN3O — CID 109161654

IUPAC[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C21H26ClN3O/c1-2-19-8-3-4-13-25(19)21(26)17-9-10-20(24-15-17)23-12-11-16-6-5-7-18(22)14-16/h5-7,9-10,14-15,19H,2-4,8,11-13H2,1H3,(H,23,24)
InChIKeyHXKHDOOEUQHACS-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.79
Rot. Bonds6

About [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109161654) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109161654
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C21H26ClN3O/c1-2-19-8-3-4-13-25(19)21(26)17-9-10-20(24-15-17)23-12-11-16-6-5-7-18(22)14-16/h5-7,9-10,14-15,19H,2-4,8,11-13H2,1H3,(H,23,24)
InChIKeyHXKHDOOEUQHACS-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109158502
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900935
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109161654) is [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is HXKHDOOEUQHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-2-19-8-3-4-13-25(19)21(26)17-9-10-20(24-15-17)23-12-11-16-6-5-7-18(22)14-16/h5-7,9-10,14-15,19H,2-4,8,11-13H2,1H3,(H,23,24).
What are the key properties of [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 371.91 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109161654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).