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

C19H23N5O3 — CID 109278980

IUPAC5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C19H23N5O3/c1-14(2)27-17-6-4-3-5-15(17)22-19(26)16-11-21-18(12-20-16)24-9-7-23(13-25)8-10-24/h3-6,11-14H,7-10H2,1-2H3,(H,22,26)
InChIKeyYVUFRBPZLZRHSS-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.79
Rot. Bonds6

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

5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109278980) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109278980
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C19H23N5O3/c1-14(2)27-17-6-4-3-5-15(17)22-19(26)16-11-21-18(12-20-16)24-9-7-23(13-25)8-10-24/h3-6,11-14H,7-10H2,1-2H3,(H,22,26)
InChIKeyYVUFRBPZLZRHSS-UHFFFAOYSA-N
XLogP1.79
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
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
6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109152560

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109278980) is 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is YVUFRBPZLZRHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14(2)27-17-6-4-3-5-15(17)22-19(26)16-11-21-18(12-20-16)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-yloxyphenyl)pyrazine-2-carboxamide?
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).