4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C22H24F3N3O2 — CID 11327582

IUPAC4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)16-2-1-3-17(10-16)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29)
InChIKeySKHKSXCAADVULV-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.88
Rot. Bonds6

About 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 11327582) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID11327582
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)16-2-1-3-17(10-16)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29)
InChIKeySKHKSXCAADVULV-UHFFFAOYSA-N
XLogP4.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 11327582) is 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is SKHKSXCAADVULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-22(24,25)16-2-1-3-17(10-16)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29).
What are the key properties of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 11327582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).