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

C17H16Cl2N6O — CID 164946830

IUPAC1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12
InChIInChI=1S/C17H14N6O.2ClH/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);2*1H
InChIKeyWRWJZCORCAMKGM-UHFFFAOYSA-N
MW391.26 g/mol
LogP2.63
Rot. Bonds3

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

1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride (PubChem CID 164946830) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride
PubChem CID164946830
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC Name1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12
InChIInChI=1S/C17H14N6O.2ClH/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);2*1H
InChIKeyWRWJZCORCAMKGM-UHFFFAOYSA-N
XLogP2.63
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 52.63
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;dihydrochloride?
The IUPAC name of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride (CID 164946830) is 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride is Cl.Cl.Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12.
What is the InChIKey of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride?
The InChIKey is WRWJZCORCAMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O.2ClH/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);2*1H.
What are the key properties of 1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride?
1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide;dihydrochloride has a molecular weight of 391.26 g/mol, XLogP of 2.63, 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;dihydrochloride is sourced from PubChem (CID 164946830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).