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

C24H28N6O — CID 53312062

IUPAC5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C24H28N6O/c1-17(2)19-4-5-21(28-24(31)20-12-18(3)14-26-15-20)22(13-19)29-8-10-30(11-9-29)23-16-25-6-7-27-23/h4-7,12-17H,8-11H2,1-3H3,(H,28,31)
InChIKeyIAIBDBSMCHCGFG-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.88
Rot. Bonds5

About 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 53312062) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID53312062
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C24H28N6O/c1-17(2)19-4-5-21(28-24(31)20-12-18(3)14-26-15-20)22(13-19)29-8-10-30(11-9-29)23-16-25-6-7-27-23/h4-7,12-17H,8-11H2,1-3H3,(H,28,31)
InChIKeyIAIBDBSMCHCGFG-UHFFFAOYSA-N
XLogP3.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 53312229
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
2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53311473
N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
CID 53311730
2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312230
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
2-ethyl-3,6-difluoro-N-[2-[4-(4-methylpyrazin-4-ium-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]benzamide
CID 123205799
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 39629575
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 53312062) is 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is IAIBDBSMCHCGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17(2)19-4-5-21(28-24(31)20-12-18(3)14-26-15-20)22(13-19)29-8-10-30(11-9-29)23-16-25-6-7-27-23/h4-7,12-17H,8-11H2,1-3H3,(H,28,31).
What are the key properties of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53312062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).