6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide

C25H24F3N3O2 — CID 66655153

IUPAC6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCC(C)C1(c2c(F)c(-c3c(F)cccc3F)nc(C(N)=O)c2-c2cccnc2)CCCCO1
InChIInChI=1S/C25H24F3N3O2/c1-14(2)25(10-3-4-12-33-25)20-18(15-7-6-11-30-13-15)23(24(29)32)31-22(21(20)28)19-16(26)8-5-9-17(19)27/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H2,29,32)
InChIKeyGRLSPMCGPYBAPG-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.38
Rot. Bonds5

About 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 66655153) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
PubChem CID66655153
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCC(C)C1(c2c(F)c(-c3c(F)cccc3F)nc(C(N)=O)c2-c2cccnc2)CCCCO1
InChIInChI=1S/C25H24F3N3O2/c1-14(2)25(10-3-4-12-33-25)20-18(15-7-6-11-30-13-15)23(24(29)32)31-22(21(20)28)19-16(26)8-5-9-17(19)27/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H2,29,32)
InChIKeyGRLSPMCGPYBAPG-UHFFFAOYSA-N
XLogP5.38
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (CID 66655153) is 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is CC(C)C1(c2c(F)c(-c3c(F)cccc3F)nc(C(N)=O)c2-c2cccnc2)CCCCO1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is GRLSPMCGPYBAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c1-14(2)25(10-3-4-12-33-25)20-18(15-7-6-11-30-13-15)23(24(29)32)31-22(21(20)28)19-16(26)8-5-9-17(19)27/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H2,29,32).
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 66655153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).