2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H24N6O2 — CID 126606146

About 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 126606146) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 126606146
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C=C(C1=C(N(C)N=O)CCCC1)c1cnc2[nH]cc(C(=O)NC(C)C)c2n1
• InChI: InChI=1S/C19H24N6O2/c1-11(2)22-19(26)14-9-20-18-17(14)23-15(10-21-18)12(3)13-7-5-6-8-16(13)25(4)24-27/h9-11H,3,5-8H2,1-2,4H3,(H,20,21)(H,22,26)
• InChIKey: HCLDBXFWWGFHCH-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 103.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 126606146) is 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=C(C1=C(N(C)N=O)CCCC1)c1cnc2[nH]cc(C(=O)NC(C)C)c2n1.

What is the InChIKey of 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is HCLDBXFWWGFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11(2)22-19(26)14-9-20-18-17(14)23-15(10-21-18)12(3)13-7-5-6-8-16(13)25(4)24-27/h9-11H,3,5-8H2,1-2,4H3,(H,20,21)(H,22,26).

What are the key properties of 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[methyl(nitroso)amino]cyclohexen-1-yl]ethenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 126606146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).