(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone

C21H23N5O — CID 109288565

IUPAC(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C21H23N5O/c1-2-16-9-3-4-12-26(16)21(27)18-13-24-19(14-23-18)25-17-10-5-7-15-8-6-11-22-20(15)17/h5-8,10-11,13-14,16H,2-4,9,12H2,1H3,(H,24,25)
InChIKeyCIBIWULSDGBDDX-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.17
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone

(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone (PubChem CID 109288565) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
PubChem CID109288565
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C21H23N5O/c1-2-16-9-3-4-12-26(16)21(27)18-13-24-19(14-23-18)25-17-10-5-7-15-8-6-11-22-20(15)17/h5-8,10-11,13-14,16H,2-4,9,12H2,1H3,(H,24,25)
InChIKeyCIBIWULSDGBDDX-UHFFFAOYSA-N
XLogP4.17
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
morpholin-4-yl-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109276540
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109288658
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109196298
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-ethylpiperidin-1-yl)-[5-(2-methoxyethylamino)pyrazin-2-yl]methanone
CID 109275908
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone (CID 109288565) is (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone is CCC1CCCCN1C(=O)c1cnc(Nc2cccc3cccnc23)cn1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone?
The InChIKey is CIBIWULSDGBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-16-9-3-4-12-26(16)21(27)18-13-24-19(14-23-18)25-17-10-5-7-15-8-6-11-22-20(15)17/h5-8,10-11,13-14,16H,2-4,9,12H2,1H3,(H,24,25).
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109288565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).