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

C22H23N7O2 — CID 10182620

IUPAC3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1
InChIInChI=1S/C22H23N7O2/c1-28-9-11-29(12-10-28)22(31)16-6-4-15(5-7-16)18-14-25-20(23)19(27-18)21(30)26-17-3-2-8-24-13-17/h2-8,13-14H,9-12H2,1H3,(H2,23,25)(H,26,30)
InChIKeyKCHJESZGTTXUHU-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.76
Rot. Bonds4

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

3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10182620) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10182620
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1
InChIInChI=1S/C22H23N7O2/c1-28-9-11-29(12-10-28)22(31)16-6-4-15(5-7-16)18-14-25-20(23)19(27-18)21(30)26-17-3-2-8-24-13-17/h2-8,13-14H,9-12H2,1H3,(H2,23,25)(H,26,30)
InChIKeyKCHJESZGTTXUHU-UHFFFAOYSA-N
XLogP1.76
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10182620) is 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1.
What is the InChIKey of 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is KCHJESZGTTXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28-9-11-29(12-10-28)22(31)16-6-4-15(5-7-16)18-14-25-20(23)19(27-18)21(30)26-17-3-2-8-24-13-17/h2-8,13-14H,9-12H2,1H3,(H2,23,25)(H,26,30).
What are the key properties of 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10182620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).