6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide

C22H23FN4O3 — CID 42629451

IUPAC6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C22H23FN4O3/c1-14-19(21(27-30-14)15-2-5-17(23)6-3-15)13-25-20-7-4-16(12-24-20)22(28)26-18-8-10-29-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,24,25)(H,26,28)
InChIKeyWUOUFZKVGVKOMH-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.71
Rot. Bonds6

About 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide

6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 42629451) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID42629451
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C22H23FN4O3/c1-14-19(21(27-30-14)15-2-5-17(23)6-3-15)13-25-20-7-4-16(12-24-20)22(28)26-18-8-10-29-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,24,25)(H,26,28)
InChIKeyWUOUFZKVGVKOMH-UHFFFAOYSA-N
XLogP3.71
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 42629451) is 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide is Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CCOCC2)cn1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is WUOUFZKVGVKOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-19(21(27-30-14)15-2-5-17(23)6-3-15)13-25-20-7-4-16(12-24-20)22(28)26-18-8-10-29-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 42629451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).