5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

C22H29N5O — CID 109287624

IUPAC5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C22H29N5O/c28-22(26-18-9-11-19(12-10-18)27-13-5-6-14-27)20-15-24-21(16-23-20)25-17-7-3-1-2-4-8-17/h9-12,15-17H,1-8,13-14H2,(H,24,25)(H,26,28)
InChIKeyXXNBXXSSFCKUHO-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.46
Rot. Bonds5

About 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109287624) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID109287624
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C22H29N5O/c28-22(26-18-9-11-19(12-10-18)27-13-5-6-14-27)20-15-24-21(16-23-20)25-17-7-3-1-2-4-8-17/h9-12,15-17H,1-8,13-14H2,(H,24,25)(H,26,28)
InChIKeyXXNBXXSSFCKUHO-UHFFFAOYSA-N
XLogP4.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283746
5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109283745
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (CID 109287624) is 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cnc(NC2CCCCCC2)cn1.
What is the InChIKey of 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is XXNBXXSSFCKUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(26-18-9-11-19(12-10-18)27-13-5-6-14-27)20-15-24-21(16-23-20)25-17-7-3-1-2-4-8-17/h9-12,15-17H,1-8,13-14H2,(H,24,25)(H,26,28).
What are the key properties of 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).