N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide

C15H17N5O — CID 71466382

IUPACN-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cnccn2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C15H17N5O/c16-12-4-3-11(14-10-17-5-6-18-14)9-13(12)19-15(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,16H2,(H,19,21)
InChIKeyCQXVINUWAUUTRK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.35
Rot. Bonds2

About N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide

N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 71466382) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID71466382
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cnccn2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C15H17N5O/c16-12-4-3-11(14-10-17-5-6-18-14)9-13(12)19-15(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,16H2,(H,19,21)
InChIKeyCQXVINUWAUUTRK-UHFFFAOYSA-N
XLogP2.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide (CID 71466382) is N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide is Nc1ccc(-c2cnccn2)cc1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CQXVINUWAUUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-12-4-3-11(14-10-17-5-6-18-14)9-13(12)19-15(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,16H2,(H,19,21).
What are the key properties of N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide?
N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyrazin-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71466382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).