[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone

C18H28ClN5O2 — CID 149158646

IUPAC[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone
SMILESCCNc1nc(OC)c(C(=O)N2CCNCC2C2CCCCC2)nc1Cl
InChIInChI=1S/C18H28ClN5O2/c1-3-21-16-15(19)22-14(17(23-16)26-2)18(25)24-10-9-20-11-13(24)12-7-5-4-6-8-12/h12-13,20H,3-11H2,1-2H3,(H,21,23)
InChIKeyYLCQDFRMJURTRT-UHFFFAOYSA-N
MW381.91 g/mol
LogP2.56
Rot. Bonds5

About [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone

[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone (PubChem CID 149158646) has the molecular formula C18H28ClN5O2 and a molecular weight of 381.91 g/mol. Its IUPAC name is [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone
PubChem CID149158646
Molecular FormulaC18H28ClN5O2
Molecular Weight381.91 g/mol
Exact Mass381.19
IUPAC Name[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone
SMILESCCNc1nc(OC)c(C(=O)N2CCNCC2C2CCCCC2)nc1Cl
InChIInChI=1S/C18H28ClN5O2/c1-3-21-16-15(19)22-14(17(23-16)26-2)18(25)24-10-9-20-11-13(24)12-7-5-4-6-8-12/h12-13,20H,3-11H2,1-2H3,(H,21,23)
InChIKeyYLCQDFRMJURTRT-UHFFFAOYSA-N
XLogP2.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 149158648
6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide
CID 21419062
6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide
CID 21418985
2-cyclopentylpiperazine-1-carboxamide
CID 22129458
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
(2-cyclopentylpyrrolidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181418
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone;hydrochloride
CID 154898801
N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680559
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
methyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 89278598
2-cyclohexyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64845060
methyl 2-(2-pyrrolidin-3-ylpiperidin-1-yl)acetate
CID 22480337

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone (CID 149158646) is [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone is CCNc1nc(OC)c(C(=O)N2CCNCC2C2CCCCC2)nc1Cl.
What is the InChIKey of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is YLCQDFRMJURTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5O2/c1-3-21-16-15(19)22-14(17(23-16)26-2)18(25)24-10-9-20-11-13(24)12-7-5-4-6-8-12/h12-13,20H,3-11H2,1-2H3,(H,21,23).
What are the key properties of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone?
[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 381.91 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 149158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).