2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate

C10H13FN4O2 — CID 139564233

IUPAC2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate
SMILESC/N=C(\N)OCCc1cc(NC=O)cnc1F
InChIInChI=1S/C10H13FN4O2/c1-13-10(12)17-3-2-7-4-8(15-6-16)5-14-9(7)11/h4-6H,2-3H2,1H3,(H2,12,13)(H,15,16)
InChIKeyCWGCECJOYCJLLW-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.29
Rot. Bonds5

About 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate

2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate (PubChem CID 139564233) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate.

Molecular Properties

Compound Name2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate
PubChem CID139564233
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate
SMILESC/N=C(\N)OCCc1cc(NC=O)cnc1F
InChIInChI=1S/C10H13FN4O2/c1-13-10(12)17-3-2-7-4-8(15-6-16)5-14-9(7)11/h4-6H,2-3H2,1H3,(H2,12,13)(H,15,16)
InChIKeyCWGCECJOYCJLLW-UHFFFAOYSA-N
XLogP0.29
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate?
The IUPAC name of 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate (CID 139564233) is 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate.
What is the SMILES notation for 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate?
The canonical SMILES for 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate is C/N=C(\N)OCCc1cc(NC=O)cnc1F.
What is the InChIKey of 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate?
The InChIKey is CWGCECJOYCJLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-13-10(12)17-3-2-7-4-8(15-6-16)5-14-9(7)11/h4-6H,2-3H2,1H3,(H2,12,13)(H,15,16).
What are the key properties of 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate?
2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate has a molecular weight of 240.24 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-formamido-3-pyridinyl)ethyl N'-methylcarbamimidate is sourced from PubChem (CID 139564233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).