[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C15H14Cl2N4O — CID 109273678

IUPAC[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2cccc(Cl)c2Cl)cn1)N1CCCC1
InChIInChI=1S/C15H14Cl2N4O/c16-10-4-3-5-11(14(10)17)20-13-9-18-12(8-19-13)15(22)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,19,20)
InChIKeyOARSPJLCVSHQHF-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.76
Rot. Bonds3

About [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109273678) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109273678
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2cccc(Cl)c2Cl)cn1)N1CCCC1
InChIInChI=1S/C15H14Cl2N4O/c16-10-4-3-5-11(14(10)17)20-13-9-18-12(8-19-13)15(22)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,19,20)
InChIKeyOARSPJLCVSHQHF-UHFFFAOYSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
[5-(2-chloroanilino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286673
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[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-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109273678) is [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(Nc2cccc(Cl)c2Cl)cn1)N1CCCC1.
What is the InChIKey of [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OARSPJLCVSHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-10-4-3-5-11(14(10)17)20-13-9-18-12(8-19-13)15(22)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,19,20).
What are the key properties of [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 337.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109273678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).