N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide

C18H17N5O — CID 155568230

IUPACN-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C18H17N5O/c19-14-8-4-5-9-15(14)23-18(24)16-11-22-17(12-20-16)21-10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2,(H,21,22)(H,23,24)
InChIKeyVNDKSSOLKIUTSX-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.92
Rot. Bonds5

About N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide

N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide (PubChem CID 155568230) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide
PubChem CID155568230
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C18H17N5O/c19-14-8-4-5-9-15(14)23-18(24)16-11-22-17(12-20-16)21-10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2,(H,21,22)(H,23,24)
InChIKeyVNDKSSOLKIUTSX-UHFFFAOYSA-N
XLogP2.92
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide (CID 155568230) is N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide is Nc1ccccc1NC(=O)c1cnc(NCc2ccccc2)cn1.
What is the InChIKey of N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide?
The InChIKey is VNDKSSOLKIUTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-14-8-4-5-9-15(14)23-18(24)16-11-22-17(12-20-16)21-10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2,(H,21,22)(H,23,24).
What are the key properties of N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide?
N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 155568230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).