[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C19H24N4O — CID 109273606

IUPAC[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1ccccc1Nc1cnc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-19(2,3)14-8-4-5-9-15(14)22-17-13-20-16(12-21-17)18(24)23-10-6-7-11-23/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,21,22)
InChIKeyKMKAONCYCFSJRM-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.75
Rot. Bonds3

About [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109273606) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109273606
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1ccccc1Nc1cnc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-19(2,3)14-8-4-5-9-15(14)22-17-13-20-16(12-21-17)18(24)23-10-6-7-11-23/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,21,22)
InChIKeyKMKAONCYCFSJRM-UHFFFAOYSA-N
XLogP3.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
CID 109287489
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274408
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321826
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109161744
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233

Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109273606) is [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)c1ccccc1Nc1cnc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KMKAONCYCFSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)14-8-4-5-9-15(14)22-17-13-20-16(12-21-17)18(24)23-10-6-7-11-23/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,21,22).
What are the key properties of [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109273606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).