3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide

C15H17ClN4O — CID 122185565

IUPAC3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(Cl)c2)cnc1N
InChIInChI=1S/C15H17ClN4O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyHDULHGGZQZTDOW-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide

3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 122185565) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide
PubChem CID122185565
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(Cl)c2)cnc1N
InChIInChI=1S/C15H17ClN4O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyHDULHGGZQZTDOW-UHFFFAOYSA-N
XLogP2.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide (CID 122185565) is 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide is CCC(C)NC(=O)c1nc(-c2cccc(Cl)c2)cnc1N.
What is the InChIKey of 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is HDULHGGZQZTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide?
3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 122185565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).