(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone

C21H27N3O — CID 109188527

IUPAC(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCc2cccc(C)c2)cn1
InChIInChI=1S/C21H27N3O/c1-3-19-9-4-5-12-24(19)21(25)20-11-10-18(15-23-20)22-14-17-8-6-7-16(2)13-17/h6-8,10-11,13,15,19,22H,3-5,9,12,14H2,1-2H3
InChIKeyFOLIYYNZIGVJNG-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.41
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone (PubChem CID 109188527) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
PubChem CID109188527
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCc2cccc(C)c2)cn1
InChIInChI=1S/C21H27N3O/c1-3-19-9-4-5-12-24(19)21(25)20-11-10-18(15-23-20)22-14-17-8-6-7-16(2)13-17/h6-8,10-11,13,15,19,22H,3-5,9,12,14H2,1-2H3
InChIKeyFOLIYYNZIGVJNG-UHFFFAOYSA-N
XLogP4.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143
2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109135337
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
3-[6-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978681
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015543
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone (CID 109188527) is (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccc(NCc2cccc(C)c2)cn1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone?
The InChIKey is FOLIYYNZIGVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-19-9-4-5-12-24(19)21(25)20-11-10-18(15-23-20)22-14-17-8-6-7-16(2)13-17/h6-8,10-11,13,15,19,22H,3-5,9,12,14H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone has a molecular weight of 337.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109188527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).