N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C22H22F3N3O3 — CID 75202612

IUPACN-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1)C(C)(C)O
InChIInChI=1S/C22H22F3N3O3/c1-13(21(2,3)30)27-20(29)18-9-6-15-10-26-11-17(19(15)28-18)14-4-7-16(8-5-14)31-12-22(23,24)25/h4-11,13,30H,12H2,1-3H3,(H,27,29)
InChIKeyRYKCSGMKLOYCIY-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.13
Rot. Bonds6

About N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 75202612) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID75202612
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1)C(C)(C)O
InChIInChI=1S/C22H22F3N3O3/c1-13(21(2,3)30)27-20(29)18-9-6-15-10-26-11-17(19(15)28-18)14-4-7-16(8-5-14)31-12-22(23,24)25/h4-11,13,30H,12H2,1-3H3,(H,27,29)
InChIKeyRYKCSGMKLOYCIY-UHFFFAOYSA-N
XLogP4.13
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 75202612) is N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is CC(NC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is RYKCSGMKLOYCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-13(21(2,3)30)27-20(29)18-9-6-15-10-26-11-17(19(15)28-18)14-4-7-16(8-5-14)31-12-22(23,24)25/h4-11,13,30H,12H2,1-3H3,(H,27,29).
What are the key properties of N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75202612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).