5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

C19H23N5O2 — CID 109278953

IUPAC5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C19H23N5O2/c1-14(2)15-5-3-4-6-16(15)22-19(26)17-11-21-18(12-20-17)24-9-7-23(13-25)8-10-24/h3-6,11-14H,7-10H2,1-2H3,(H,22,26)
InChIKeyOEKMZAASSSMMBB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.13
Rot. Bonds5

About 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109278953) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109278953
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C19H23N5O2/c1-14(2)15-5-3-4-6-16(15)22-19(26)17-11-21-18(12-20-17)24-9-7-23(13-25)8-10-24/h3-6,11-14H,7-10H2,1-2H3,(H,22,26)
InChIKeyOEKMZAASSSMMBB-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.13
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

N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290489
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
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-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109355509
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109278953) is 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is OEKMZAASSSMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(2)15-5-3-4-6-16(15)22-19(26)17-11-21-18(12-20-17)24-9-7-23(13-25)8-10-24/h3-6,11-14H,7-10H2,1-2H3,(H,22,26).
What are the key properties of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).