[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone

C22H30N4O — CID 109288519

IUPAC[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C22H30N4O/c1-5-18-8-6-7-13-26(18)21(27)19-14-24-20(15-23-19)25-17-11-9-16(10-12-17)22(2,3)4/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,24,25)
InChIKeyDSHBTQSEUUTFRE-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.92
Rot. Bonds4

About [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone

[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109288519) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109288519
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C22H30N4O/c1-5-18-8-6-7-13-26(18)21(27)19-14-24-20(15-23-19)25-17-11-9-16(10-12-17)22(2,3)4/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,24,25)
InChIKeyDSHBTQSEUUTFRE-UHFFFAOYSA-N
XLogP4.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
(2-ethylpiperidin-1-yl)-[5-(2-methoxyethylamino)pyrazin-2-yl]methanone
CID 109275908
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109288565
(2-ethylpiperidin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276987
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
[6-(4-chloroanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354979
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109288519) is [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DSHBTQSEUUTFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-18-8-6-7-13-26(18)21(27)19-14-24-20(15-23-19)25-17-11-9-16(10-12-17)22(2,3)4/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,24,25).
What are the key properties of [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 366.51 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).