3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide

C13H15N5O — CID 55103195

IUPAC3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCC(Nc1nccnc1C(N)=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N5O/c1-8(9-2-4-10(14)5-3-9)18-13-11(12(15)19)16-6-7-17-13/h2-8H,14H2,1H3,(H2,15,19)(H,17,18)
InChIKeyLUDNBTNTPOZLKL-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.33
Rot. Bonds4

About 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide

3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 55103195) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID55103195
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCC(Nc1nccnc1C(N)=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N5O/c1-8(9-2-4-10(14)5-3-9)18-13-11(12(15)19)16-6-7-17-13/h2-8H,14H2,1H3,(H2,15,19)(H,17,18)
InChIKeyLUDNBTNTPOZLKL-UHFFFAOYSA-N
XLogP1.33
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.33
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 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide (CID 55103195) is 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide is CC(Nc1nccnc1C(N)=O)c1ccc(N)cc1.
What is the InChIKey of 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is LUDNBTNTPOZLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8(9-2-4-10(14)5-3-9)18-13-11(12(15)19)16-6-7-17-13/h2-8H,14H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide?
3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 55103195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).