4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide

C21H19FN4O2 — CID 122539765

IUPAC4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(OC2CN(c3cnc(C(N)=O)cc3-c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C21H19FN4O2/c1-13-2-7-16(9-24-13)28-17-11-26(12-17)20-10-25-19(21(23)27)8-18(20)14-3-5-15(22)6-4-14/h2-10,17H,11-12H2,1H3,(H2,23,27)
InChIKeyDOWPKWLVMHRCKV-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.96
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide (PubChem CID 122539765) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide
PubChem CID122539765
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(OC2CN(c3cnc(C(N)=O)cc3-c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C21H19FN4O2/c1-13-2-7-16(9-24-13)28-17-11-26(12-17)20-10-25-19(21(23)27)8-18(20)14-3-5-15(22)6-4-14/h2-10,17H,11-12H2,1H3,(H2,23,27)
InChIKeyDOWPKWLVMHRCKV-UHFFFAOYSA-N
XLogP2.96
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide (CID 122539765) is 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide is Cc1ccc(OC2CN(c3cnc(C(N)=O)cc3-c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide?
The InChIKey is DOWPKWLVMHRCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-2-7-16(9-24-13)28-17-11-26(12-17)20-10-25-19(21(23)27)8-18(20)14-3-5-15(22)6-4-14/h2-10,17H,11-12H2,1H3,(H2,23,27).
What are the key properties of 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122539765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).