2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide

C20H20FN7O — CID 137400605

IUPAC2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide
SMILESCN1CCCCN(C(=O)Nc2cnccn2)c2nc(-c3cncc(F)c3)ccc21
InChIInChI=1S/C20H20FN7O/c1-27-8-2-3-9-28(20(29)26-18-13-22-6-7-24-18)19-17(27)5-4-16(25-19)14-10-15(21)12-23-11-14/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,26,29)
InChIKeyLXBUVXXTXXPSAY-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.34
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide

2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide (PubChem CID 137400605) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide
PubChem CID137400605
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide
SMILESCN1CCCCN(C(=O)Nc2cnccn2)c2nc(-c3cncc(F)c3)ccc21
InChIInChI=1S/C20H20FN7O/c1-27-8-2-3-9-28(20(29)26-18-13-22-6-7-24-18)19-17(27)5-4-16(25-19)14-10-15(21)12-23-11-14/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,26,29)
InChIKeyLXBUVXXTXXPSAY-UHFFFAOYSA-N
XLogP3.34
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide (CID 137400605) is 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide is CN1CCCCN(C(=O)Nc2cnccn2)c2nc(-c3cncc(F)c3)ccc21.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide?
The InChIKey is LXBUVXXTXXPSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-27-8-2-3-9-28(20(29)26-18-13-22-6-7-24-18)19-17(27)5-4-16(25-19)14-10-15(21)12-23-11-14/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,26,29).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide?
2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide is sourced from PubChem (CID 137400605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).