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

C22H24F3N3O3 — CID 11247557

IUPAC4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2cccc(OC(F)(F)F)c2)cc1C1CC1
InChIInChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)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)
InChIKeyQMSZYSVYDVBLRN-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.76
Rot. Bonds7

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

4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide (PubChem CID 11247557) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
PubChem CID11247557
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2cccc(OC(F)(F)F)c2)cc1C1CC1
InChIInChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)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)
InChIKeyQMSZYSVYDVBLRN-UHFFFAOYSA-N
XLogP4.76
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide (CID 11247557) is 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cnc(Nc2cccc(OC(F)(F)F)c2)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is QMSZYSVYDVBLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)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-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 11247557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).