TWKUHRBKUHLJDI-RBUKOAKNSA-N

Name: TWKUHRBKUHLJDI-RBUKOAKNSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₇F₄N₅O₂ — CID 66665524

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

SMILESC[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1

InChIInChI=1S/C20H17F4N5O2/c1-18(10-31-19(2,17(26)29-18)20(22,23)24)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1

InChIKeyTWKUHRBKUHLJDI-RBUKOAKNSA-N

MW435.38 g/mol

LogP3.27

Rot. Bonds3

About TWKUHRBKUHLJDI-RBUKOAKNSA-N

TWKUHRBKUHLJDI-RBUKOAKNSA-N (PubChem CID 66665524) has the molecular formula C₂₀H₁₇F₄N₅O₂ and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound Name	TWKUHRBKUHLJDI-RBUKOAKNSA-N
PubChem CID	66665524
Molecular Formula	C₂₀H₁₇F₄N₅O₂
Molecular Weight	435.38 g/mol
Exact Mass	435.13
IUPAC Name	N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILES	C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChI	InChI=1S/C20H17F4N5O2/c1-18(10-31-19(2,17(26)29-18)20(22,23)24)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
InChIKey	TWKUHRBKUHLJDI-RBUKOAKNSA-N
XLogP	3.27
TPSA	113.39 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.38
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of TWKUHRBKUHLJDI-RBUKOAKNSA-N?

The IUPAC name of TWKUHRBKUHLJDI-RBUKOAKNSA-N (CID 66665524) is N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

What is the SMILES notation for TWKUHRBKUHLJDI-RBUKOAKNSA-N?

The canonical SMILES for TWKUHRBKUHLJDI-RBUKOAKNSA-N is C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1.

What is the InChIKey of TWKUHRBKUHLJDI-RBUKOAKNSA-N?

The InChIKey is TWKUHRBKUHLJDI-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c1-18(10-31-19(2,17(26)29-18)20(22,23)24)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1.

What are the key properties of TWKUHRBKUHLJDI-RBUKOAKNSA-N?

TWKUHRBKUHLJDI-RBUKOAKNSA-N has a molecular weight of 435.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for TWKUHRBKUHLJDI-RBUKOAKNSA-N is sourced from PubChem (CID 66665524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 66665524 — identifiers, structure, computed properties (public domain)

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