3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide

C15H13N5O — CID 147661008

IUPAC3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide
SMILESCN1Cc2ccccc2-c2nc(C(N)=O)c(C#N)nc2C1
InChIInChI=1S/C15H13N5O/c1-20-7-9-4-2-3-5-10(9)13-12(8-20)18-11(6-16)14(19-13)15(17)21/h2-5H,7-8H2,1H3,(H2,17,21)
InChIKeyGLIYEVSYUYAADO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.06
Rot. Bonds1

About 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide

3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide (PubChem CID 147661008) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide.

Molecular Properties

Compound Name3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide
PubChem CID147661008
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide
SMILESCN1Cc2ccccc2-c2nc(C(N)=O)c(C#N)nc2C1
InChIInChI=1S/C15H13N5O/c1-20-7-9-4-2-3-5-10(9)13-12(8-20)18-11(6-16)14(19-13)15(17)21/h2-5H,7-8H2,1H3,(H2,17,21)
InChIKeyGLIYEVSYUYAADO-UHFFFAOYSA-N
XLogP1.06
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide?
The IUPAC name of 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide (CID 147661008) is 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide.
What is the SMILES notation for 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide?
The canonical SMILES for 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide is CN1Cc2ccccc2-c2nc(C(N)=O)c(C#N)nc2C1.
What is the InChIKey of 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide?
The InChIKey is GLIYEVSYUYAADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-20-7-9-4-2-3-5-10(9)13-12(8-20)18-11(6-16)14(19-13)15(17)21/h2-5H,7-8H2,1H3,(H2,17,21).
What are the key properties of 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide?
3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide is sourced from PubChem (CID 147661008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).