2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide

C23H18F3N5O3 — CID 137408509

IUPAC2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC(F)F)cc1F
InChIInChI=1S/C23H18F3N5O3/c24-15-10-13(7-8-18(15)34-22-14(21(27)33)4-3-9-28-22)11-20(32)30-23-29-16-5-1-2-6-17(16)31(23)12-19(25)26/h1-10,19H,11-12H2,(H2,27,33)(H,29,30,32)
InChIKeyAGVPQFQVDMZWBJ-UHFFFAOYSA-N
MW469.42 g/mol
LogP3.91
Rot. Bonds8

About 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide

2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide (PubChem CID 137408509) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
PubChem CID137408509
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Name2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC(F)F)cc1F
InChIInChI=1S/C23H18F3N5O3/c24-15-10-13(7-8-18(15)34-22-14(21(27)33)4-3-9-28-22)11-20(32)30-23-29-16-5-1-2-6-17(16)31(23)12-19(25)26/h1-10,19H,11-12H2,(H2,27,33)(H,29,30,32)
InChIKeyAGVPQFQVDMZWBJ-UHFFFAOYSA-N
XLogP3.91
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-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

2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 137408529
2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 175514474
2-[4-[2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137419492
2-[4-[2-[[4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137408503
2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 142516274
2-[4-[2-[[5-(3,5-dimethylpyrazolidin-4-yl)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 164607382
2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 137408485
2-[4-[2-[[5-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 164607387
2-[4-[2-[[4-[(3R,4E,6Z)-3,8-dimethylnona-4,6,8-trien-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137419318
2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
CID 170186887
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide (CID 137408509) is 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC(F)F)cc1F.
What is the InChIKey of 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The InChIKey is AGVPQFQVDMZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c24-15-10-13(7-8-18(15)34-22-14(21(27)33)4-3-9-28-22)11-20(32)30-23-29-16-5-1-2-6-17(16)31(23)12-19(25)26/h1-10,19H,11-12H2,(H2,27,33)(H,29,30,32).
What are the key properties of 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide has a molecular weight of 469.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).