[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone

C20H25ClN4O — CID 109288530

IUPAC[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C20H25ClN4O/c1-4-15-7-5-6-8-25(15)20(26)17-11-23-18(12-22-17)24-19-14(3)9-13(2)10-16(19)21/h9-12,15H,4-8H2,1-3H3,(H,23,24)
InChIKeyMOOUTSOUIBFQMA-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.90
Rot. Bonds4

About [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone

[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109288530) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109288530
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C20H25ClN4O/c1-4-15-7-5-6-8-25(15)20(26)17-11-23-18(12-22-17)24-19-14(3)9-13(2)10-16(19)21/h9-12,15H,4-8H2,1-3H3,(H,23,24)
InChIKeyMOOUTSOUIBFQMA-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
(2-ethylpiperidin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276987
(5-chloropyrazin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107257609
(2-ethylpiperidin-1-yl)-[5-(2-methoxyethylamino)pyrazin-2-yl]methanone
CID 109275908
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109288565

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109288530) is [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)cn1.
What is the InChIKey of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is MOOUTSOUIBFQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-4-15-7-5-6-8-25(15)20(26)17-11-23-18(12-22-17)24-19-14(3)9-13(2)10-16(19)21/h9-12,15H,4-8H2,1-3H3,(H,23,24).
What are the key properties of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).