N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide

C22H29N5O2 — CID 109279005

IUPACN-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C22H29N5O2/c1-15(2)17-6-5-7-18(16(3)4)21(17)25-22(29)19-12-24-20(13-23-19)27-10-8-26(14-28)9-11-27/h5-7,12-16H,8-11H2,1-4H3,(H,25,29)
InChIKeyQXSXMWSAFKXCMV-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.25
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109279005) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109279005
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C22H29N5O2/c1-15(2)17-6-5-7-18(16(3)4)21(17)25-22(29)19-12-24-20(13-23-19)27-10-8-26(14-28)9-11-27/h5-7,12-16H,8-11H2,1-4H3,(H,25,29)
InChIKeyQXSXMWSAFKXCMV-UHFFFAOYSA-N
XLogP3.25
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109278987
N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021
2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109326353
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109279005) is N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is QXSXMWSAFKXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15(2)17-6-5-7-18(16(3)4)21(17)25-22(29)19-12-24-20(13-23-19)27-10-8-26(14-28)9-11-27/h5-7,12-16H,8-11H2,1-4H3,(H,25,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).