6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide

C15H15FN4O2S — CID 145378918

IUPAC6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NSc2cccc(N=O)n2)c(F)n1
InChIInChI=1S/C15H15FN4O2S/c1-15(2,3)10-8-7-9(13(16)17-10)14(21)20-23-12-6-4-5-11(18-12)19-22/h4-8H,1-3H3,(H,20,21)
InChIKeyZMTYXZNRQFWTRN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.75
Rot. Bonds4

About 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide

6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide (PubChem CID 145378918) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide
PubChem CID145378918
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NSc2cccc(N=O)n2)c(F)n1
InChIInChI=1S/C15H15FN4O2S/c1-15(2,3)10-8-7-9(13(16)17-10)14(21)20-23-12-6-4-5-11(18-12)19-22/h4-8H,1-3H3,(H,20,21)
InChIKeyZMTYXZNRQFWTRN-UHFFFAOYSA-N
XLogP3.75
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide (CID 145378918) is 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)NSc2cccc(N=O)n2)c(F)n1.
What is the InChIKey of 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide?
The InChIKey is ZMTYXZNRQFWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-15(2,3)10-8-7-9(13(16)17-10)14(21)20-23-12-6-4-5-11(18-12)19-22/h4-8H,1-3H3,(H,20,21).
What are the key properties of 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide?
6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-fluoro-N-[(6-nitroso-2-pyridinyl)sulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 145378918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).