2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C23H27N7O — CID 53311726

IUPAC2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2N)c(N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C23H27N7O/c1-16(2)17-5-6-19(28-23(31)18-4-3-7-27-22(18)24)20(14-17)29-10-12-30(13-11-29)21-15-25-8-9-26-21/h3-9,14-16H,10-13H2,1-2H3,(H2,24,27)(H,28,31)
InChIKeyPFYGMCZJKRNDEL-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.16
Rot. Bonds5

About 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 53311726) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID53311726
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2N)c(N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C23H27N7O/c1-16(2)17-5-6-19(28-23(31)18-4-3-7-27-22(18)24)20(14-17)29-10-12-30(13-11-29)21-15-25-8-9-26-21/h3-9,14-16H,10-13H2,1-2H3,(H2,24,27)(H,28,31)
InChIKeyPFYGMCZJKRNDEL-UHFFFAOYSA-N
XLogP3.16
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 53311726) is 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2N)c(N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is PFYGMCZJKRNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16(2)17-5-6-19(28-23(31)18-4-3-7-27-22(18)24)20(14-17)29-10-12-30(13-11-29)21-15-25-8-9-26-21/h3-9,14-16H,10-13H2,1-2H3,(H2,24,27)(H,28,31).
What are the key properties of 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53311726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).