1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide

C17H14N6O — CID 163215620

IUPAC1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12
InChIInChI=1S/C17H14N6O/c18-15-16-22-12-6-1-2-7-14(12)23(16)10-13(21-15)17(24)20-9-11-5-3-4-8-19-11/h1-8,10H,9H2,(H2,18,21)(H,20,24)
InChIKeyQHIATACMHNLOEM-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.79
Rot. Bonds3

About 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide

1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 163215620) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID163215620
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12
InChIInChI=1S/C17H14N6O/c18-15-16-22-12-6-1-2-7-14(12)23(16)10-13(21-15)17(24)20-9-11-5-3-4-8-19-11/h1-8,10H,9H2,(H2,18,21)(H,20,24)
InChIKeyQHIATACMHNLOEM-UHFFFAOYSA-N
XLogP1.79
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 163215620) is 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide is Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12.
What is the InChIKey of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is QHIATACMHNLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-15-16-22-12-6-1-2-7-14(12)23(16)10-13(21-15)17(24)20-9-11-5-3-4-8-19-11/h1-8,10H,9H2,(H2,18,21)(H,20,24).
What are the key properties of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 163215620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).