5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide

C15H16Cl2N4O — CID 109286840

IUPAC5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15(22)12-8-19-13(9-18-12)20-11-7-5-6-10(16)14(11)17/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyJHXBYPOQNDHYBX-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.01
Rot. Bonds5

About 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide

5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide (PubChem CID 109286840) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
PubChem CID109286840
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15(22)12-8-19-13(9-18-12)20-11-7-5-6-10(16)14(11)17/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyJHXBYPOQNDHYBX-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286839
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
5-(2,4-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286836
5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286788
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291719
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
5-(2,6-dichloroanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194702

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide (CID 109286840) is 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide is CCN(CC)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide?
The InChIKey is JHXBYPOQNDHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15(22)12-8-19-13(9-18-12)20-11-7-5-6-10(16)14(11)17/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide?
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide is sourced from PubChem (CID 109286840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).