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

C18H21ClN4O — CID 109288522

IUPAC[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H21ClN4O/c1-2-13-7-5-6-10-23(13)18(24)16-11-21-17(12-20-16)22-15-9-4-3-8-14(15)19/h3-4,8-9,11-13H,2,5-7,10H2,1H3,(H,21,22)
InChIKeyNAFATFIOLKSTBU-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.28
Rot. Bonds4

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

[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109288522) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109288522
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H21ClN4O/c1-2-13-7-5-6-10-23(13)18(24)16-11-21-17(12-20-16)22-15-9-4-3-8-14(15)19/h3-4,8-9,11-13H,2,5-7,10H2,1H3,(H,21,22)
InChIKeyNAFATFIOLKSTBU-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109288565
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
[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
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
(5-chloropyrazin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107257609
(2-ethylpiperidin-1-yl)-[5-(2-methoxyethylamino)pyrazin-2-yl]methanone
CID 109275908
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
(2-ethylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288501
(2-ethylpiperidin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276987
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109288522) is [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2ccccc2Cl)cn1.
What is the InChIKey of [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is NAFATFIOLKSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-13-7-5-6-10-23(13)18(24)16-11-21-17(12-20-16)22-15-9-4-3-8-14(15)19/h3-4,8-9,11-13H,2,5-7,10H2,1H3,(H,21,22).
What are the key properties of [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone?
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 344.85 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).