2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

C25H24F3N3O3 — CID 134609424

IUPAC2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1C1(CF)COC1
InChIInChI=1S/C25H24F3N3O3/c1-15-4-5-18(31-22(32)16-6-7-29-21(9-16)24(2,27)28)10-19(15)17-8-20(23(33-3)30-11-17)25(12-26)13-34-14-25/h4-11H,12-14H2,1-3H3,(H,31,32)
InChIKeyCLECSWNROFFXBH-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.06
Rot. Bonds7

About 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 134609424) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID134609424
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1C1(CF)COC1
InChIInChI=1S/C25H24F3N3O3/c1-15-4-5-18(31-22(32)16-6-7-29-21(9-16)24(2,27)28)10-19(15)17-8-20(23(33-3)30-11-17)25(12-26)13-34-14-25/h4-11H,12-14H2,1-3H3,(H,31,32)
InChIKeyCLECSWNROFFXBH-UHFFFAOYSA-N
XLogP5.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
4-(3-(6-methoxypyridin-3-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 22317744
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide
CID 44571964
N-(4-methyl-3-spiro[3,4-dihydrochromene-2,4'-oxane]-7-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168272317
N-[3-(2-methoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295254
N-[3-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408193
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408627
2-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90408886
N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90409412
2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90410117
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90442606
N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90456723

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 134609424) is 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1C1(CF)COC1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is CLECSWNROFFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-15-4-5-18(31-22(32)16-6-7-29-21(9-16)24(2,27)28)10-19(15)17-8-20(23(33-3)30-11-17)25(12-26)13-34-14-25/h4-11H,12-14H2,1-3H3,(H,31,32).
What are the key properties of 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 134609424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).