3-(benzylamino)-5-cyanopyrazine-2-carboxamide

C13H11N5O — CID 71540500

IUPAC3-(benzylamino)-5-cyanopyrazine-2-carboxamide
SMILESN#Cc1cnc(C(N)=O)c(NCc2ccccc2)n1
InChIInChI=1S/C13H11N5O/c14-6-10-8-16-11(12(15)19)13(18-10)17-7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,15,19)(H,17,18)
InChIKeyARYMQZWKUSIEEH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.06
Rot. Bonds4

About 3-(benzylamino)-5-cyanopyrazine-2-carboxamide

3-(benzylamino)-5-cyanopyrazine-2-carboxamide (PubChem CID 71540500) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(benzylamino)-5-cyanopyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(benzylamino)-5-cyanopyrazine-2-carboxamide
PubChem CID71540500
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name3-(benzylamino)-5-cyanopyrazine-2-carboxamide
SMILESN#Cc1cnc(C(N)=O)c(NCc2ccccc2)n1
InChIInChI=1S/C13H11N5O/c14-6-10-8-16-11(12(15)19)13(18-10)17-7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,15,19)(H,17,18)
InChIKeyARYMQZWKUSIEEH-UHFFFAOYSA-N
XLogP1.06
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-5-cyanopyrazine-2-carboxamide?
The IUPAC name of 3-(benzylamino)-5-cyanopyrazine-2-carboxamide (CID 71540500) is 3-(benzylamino)-5-cyanopyrazine-2-carboxamide.
What is the SMILES notation for 3-(benzylamino)-5-cyanopyrazine-2-carboxamide?
The canonical SMILES for 3-(benzylamino)-5-cyanopyrazine-2-carboxamide is N#Cc1cnc(C(N)=O)c(NCc2ccccc2)n1.
What is the InChIKey of 3-(benzylamino)-5-cyanopyrazine-2-carboxamide?
The InChIKey is ARYMQZWKUSIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-6-10-8-16-11(12(15)19)13(18-10)17-7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,15,19)(H,17,18).
What are the key properties of 3-(benzylamino)-5-cyanopyrazine-2-carboxamide?
3-(benzylamino)-5-cyanopyrazine-2-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-5-cyanopyrazine-2-carboxamide is sourced from PubChem (CID 71540500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).