[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone

C20H26N4O — CID 109288505

IUPAC[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C20H26N4O/c1-4-16-7-5-6-10-24(16)20(25)18-12-22-19(13-21-18)23-17-11-14(2)8-9-15(17)3/h8-9,11-13,16H,4-7,10H2,1-3H3,(H,22,23)
InChIKeyDWBXSZRHTLTTEX-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.24
Rot. Bonds4

About [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone

[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109288505) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109288505
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C20H26N4O/c1-4-16-7-5-6-10-24(16)20(25)18-12-22-19(13-21-18)23-17-11-14(2)8-9-15(17)3/h8-9,11-13,16H,4-7,10H2,1-3H3,(H,22,23)
InChIKeyDWBXSZRHTLTTEX-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109288565
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
(2-ethylpiperidin-1-yl)-[5-(2-methoxyethylamino)pyrazin-2-yl]methanone
CID 109275908
[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 95092504
(2-ethylpiperidin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276987
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109188527

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109288505) is [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2cc(C)ccc2C)cn1.
What is the InChIKey of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DWBXSZRHTLTTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-16-7-5-6-10-24(16)20(25)18-12-22-19(13-21-18)23-17-11-14(2)8-9-15(17)3/h8-9,11-13,16H,4-7,10H2,1-3H3,(H,22,23).
What are the key properties of [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).