[5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate

C22H17FN2O3 — CID 174614274

IUPAC[5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate
SMILESO=COc1cc(C2CC2)ccc1NC(=O)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C22H17FN2O3/c23-18-4-2-1-3-17(18)19-9-8-16(12-24-19)22(27)25-20-10-7-15(14-5-6-14)11-21(20)28-13-26/h1-4,7-14H,5-6H2,(H,25,27)
InChIKeySTMPQVZSMCHJSW-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.55
Rot. Bonds6

About [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate

[5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate (PubChem CID 174614274) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate.

Molecular Properties

Compound Name[5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate
PubChem CID174614274
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name[5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate
SMILESO=COc1cc(C2CC2)ccc1NC(=O)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C22H17FN2O3/c23-18-4-2-1-3-17(18)19-9-8-16(12-24-19)22(27)25-20-10-7-15(14-5-6-14)11-21(20)28-13-26/h1-4,7-14H,5-6H2,(H,25,27)
InChIKeySTMPQVZSMCHJSW-UHFFFAOYSA-N
XLogP4.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate?
The IUPAC name of [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate (CID 174614274) is [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate.
What is the SMILES notation for [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate?
The canonical SMILES for [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate is O=COc1cc(C2CC2)ccc1NC(=O)c1ccc(-c2ccccc2F)nc1.
What is the InChIKey of [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate?
The InChIKey is STMPQVZSMCHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c23-18-4-2-1-3-17(18)19-9-8-16(12-24-19)22(27)25-20-10-7-15(14-5-6-14)11-21(20)28-13-26/h1-4,7-14H,5-6H2,(H,25,27).
What are the key properties of [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate?
[5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate has a molecular weight of 376.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-2-[[6-(2-fluorophenyl)pyridine-3-carbonyl]amino]phenyl] formate is sourced from PubChem (CID 174614274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).