[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C17H28N4O — CID 109207330

IUPAC[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(NCCN(C)C)ccn1
InChIInChI=1S/C17H28N4O/c1-4-15-7-5-6-11-21(15)17(22)16-13-14(8-9-19-16)18-10-12-20(2)3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,18,19)
InChIKeyALLFRTBZHHSTRX-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.46
Rot. Bonds6

About [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109207330) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109207330
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(NCCN(C)C)ccn1
InChIInChI=1S/C17H28N4O/c1-4-15-7-5-6-11-21(15)17(22)16-13-14(8-9-19-16)18-10-12-20(2)3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,18,19)
InChIKeyALLFRTBZHHSTRX-UHFFFAOYSA-N
XLogP2.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109115213
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
(2-ethylpiperidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216338
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312617
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109311738

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109207330) is [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(NCCN(C)C)ccn1.
What is the InChIKey of [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is ALLFRTBZHHSTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-15-7-5-6-11-21(15)17(22)16-13-14(8-9-19-16)18-10-12-20(2)3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,18,19).
What are the key properties of [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109207330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).