N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C19H18F3N3O3 — CID 118695705

IUPACN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1
InChIKeyRHHFCEZIYQMAKN-BHYGNILZSA-N
MW393.37 g/mol
LogP3.08
Rot. Bonds5

About N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 118695705) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID118695705
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1
InChIKeyRHHFCEZIYQMAKN-BHYGNILZSA-N
XLogP3.08
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 118695705) is N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is O=C(Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is RHHFCEZIYQMAKN-BHYGNILZSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1.
What are the key properties of N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 118695705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).