N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H19F2N3O2 — CID 3230895

IUPACN-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H19F2N3O2/c20-13-3-6-17(16(21)8-13)23-18(25)24-14-4-5-15(24)10-19(26,9-14)12-2-1-7-22-11-12/h1-3,6-8,11,14-15,26H,4-5,9-10H2,(H,23,25)
InChIKeyXEAHVQSXZYMVHJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.41
Rot. Bonds2

About N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3230895) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3230895
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C19H19F2N3O2/c20-13-3-6-17(16(21)8-13)23-18(25)24-14-4-5-15(24)10-19(26,9-14)12-2-1-7-22-11-12/h1-3,6-8,11,14-15,26H,4-5,9-10H2,(H,23,25)
InChIKeyXEAHVQSXZYMVHJ-UHFFFAOYSA-N
XLogP3.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3230895) is N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(F)cc1F)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is XEAHVQSXZYMVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-13-3-6-17(16(21)8-13)23-18(25)24-14-4-5-15(24)10-19(26,9-14)12-2-1-7-22-11-12/h1-3,6-8,11,14-15,26H,4-5,9-10H2,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3230895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).