3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

C23H24N6O2 — CID 59471661

IUPAC3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1
InChIInChI=1S/C23H24N6O2/c1-28-10-12-29(13-11-28)23(31)17-7-5-6-16(14-17)19-15-25-21(24)20(27-19)22(30)26-18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H2,24,25)(H,26,30)
InChIKeyMNPFHKHDEHVUED-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.37
Rot. Bonds4

About 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59471661) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59471661
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1
InChIInChI=1S/C23H24N6O2/c1-28-10-12-29(13-11-28)23(31)17-7-5-6-16(14-17)19-15-25-21(24)20(27-19)22(30)26-18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H2,24,25)(H,26,30)
InChIKeyMNPFHKHDEHVUED-UHFFFAOYSA-N
XLogP2.37
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 59471661) is 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide is CN1CCN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1.
What is the InChIKey of 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is MNPFHKHDEHVUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28-10-12-29(13-11-28)23(31)17-7-5-6-16(14-17)19-15-25-21(24)20(27-19)22(30)26-18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H2,24,25)(H,26,30).
What are the key properties of 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59471661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).