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

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

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Related Compounds

5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312062
2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312230
2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 53312229
N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
CID 53311730
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;6-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-phenyl-4-[5-propan-2-yl-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxamide
CID 161088509
N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 39629575
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
2-ethyl-3,6-difluoro-N-[2-[4-(4-methylpyrazin-4-ium-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]benzamide
CID 123205799
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936

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).