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

C26H30N6O — CID 53311473

IUPAC2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2C2CC2)c(N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C26H30N6O/c1-18(2)20-7-8-22(30-26(33)21-4-3-9-29-25(21)19-5-6-19)23(16-20)31-12-14-32(15-13-31)24-17-27-10-11-28-24/h3-4,7-11,16-19H,5-6,12-15H2,1-2H3,(H,30,33)
InChIKeyYJIJLPSYKAQTIP-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.45
Rot. Bonds6

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

2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 53311473) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID53311473
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2C2CC2)c(N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C26H30N6O/c1-18(2)20-7-8-22(30-26(33)21-4-3-9-29-25(21)19-5-6-19)23(16-20)31-12-14-32(15-13-31)24-17-27-10-11-28-24/h3-4,7-11,16-19H,5-6,12-15H2,1-2H3,(H,30,33)
InChIKeyYJIJLPSYKAQTIP-UHFFFAOYSA-N
XLogP4.45
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 53311473) is 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2C2CC2)c(N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is YJIJLPSYKAQTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18(2)20-7-8-22(30-26(33)21-4-3-9-29-25(21)19-5-6-19)23(16-20)31-12-14-32(15-13-31)24-17-27-10-11-28-24/h3-4,7-11,16-19H,5-6,12-15H2,1-2H3,(H,30,33).
What are the key properties of 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53311473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).