3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C24H21FN2O2 — CID 138609057

IUPAC3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)COC1
InChIInChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28)
InChIKeyDJWKVSDUOMVCDV-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.67
Rot. Bonds5

About 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138609057) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138609057
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)COC1
InChIInChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28)
InChIKeyDJWKVSDUOMVCDV-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138609057) is 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)COC1.
What is the InChIKey of 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is DJWKVSDUOMVCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28).
What are the key properties of 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138609057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).