[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C18H30N4O — CID 109186143

IUPAC[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C18H30N4O/c1-4-16-8-5-6-13-22(16)18(23)17-10-9-15(14-20-17)19-11-7-12-21(2)3/h9-10,14,16,19H,4-8,11-13H2,1-3H3
InChIKeyQUNLQNYJQLOXIL-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.85
Rot. Bonds7

About [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109186143) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109186143
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C18H30N4O/c1-4-16-8-5-6-13-22(16)18(23)17-10-9-15(14-20-17)19-11-7-12-21(2)3/h9-10,14,16,19H,4-8,11-13H2,1-3H3
InChIKeyQUNLQNYJQLOXIL-UHFFFAOYSA-N
XLogP2.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109115213
(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109188527
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
3-[6-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978681

Frequently Asked Questions

What is the IUPAC name of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109186143) is [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(NCCCN(C)C)cn1.
What is the InChIKey of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is QUNLQNYJQLOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-16-8-5-6-13-22(16)18(23)17-10-9-15(14-20-17)19-11-7-12-21(2)3/h9-10,14,16,19H,4-8,11-13H2,1-3H3.
What are the key properties of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 318.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109186143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).