N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide

C23H24FN3O4 — CID 21109677

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
SMILESCc1cc(COc2ncc(C(=O)NCC(C)(O)C3CC3)cc2-c2ccc(F)cc2)no1
InChIInChI=1S/C23H24FN3O4/c1-14-9-19(27-31-14)12-30-22-20(15-3-7-18(24)8-4-15)10-16(11-25-22)21(28)26-13-23(2,29)17-5-6-17/h3-4,7-11,17,29H,5-6,12-13H2,1-2H3,(H,26,28)
InChIKeyHUOVONCZSADDJX-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.65
Rot. Bonds8

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

N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide (PubChem CID 21109677) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
PubChem CID21109677
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
SMILESCc1cc(COc2ncc(C(=O)NCC(C)(O)C3CC3)cc2-c2ccc(F)cc2)no1
InChIInChI=1S/C23H24FN3O4/c1-14-9-19(27-31-14)12-30-22-20(15-3-7-18(24)8-4-15)10-16(11-25-22)21(28)26-13-23(2,29)17-5-6-17/h3-4,7-11,17,29H,5-6,12-13H2,1-2H3,(H,26,28)
InChIKeyHUOVONCZSADDJX-UHFFFAOYSA-N
XLogP3.65
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide (CID 21109677) is N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide is Cc1cc(COc2ncc(C(=O)NCC(C)(O)C3CC3)cc2-c2ccc(F)cc2)no1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is HUOVONCZSADDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-14-9-19(27-31-14)12-30-22-20(15-3-7-18(24)8-4-15)10-16(11-25-22)21(28)26-13-23(2,29)17-5-6-17/h3-4,7-11,17,29H,5-6,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 21109677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).