methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate

C20H15F2N3O3 — CID 109178658

IUPACmethyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3c(F)cccc3F)c2)cc1
InChIInChI=1S/C20H15F2N3O3/c1-28-20(27)12-5-7-14(8-6-12)24-19(26)13-9-10-23-17(11-13)25-18-15(21)3-2-4-16(18)22/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyCXJXZAYVXCUYFG-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.14
Rot. Bonds5

About methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate

methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109178658) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109178658
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Namemethyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3c(F)cccc3F)c2)cc1
InChIInChI=1S/C20H15F2N3O3/c1-28-20(27)12-5-7-14(8-6-12)24-19(26)13-9-10-23-17(11-13)25-18-15(21)3-2-4-16(18)22/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyCXJXZAYVXCUYFG-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(2,6-difluoroanilino)pyridine-4-carboxamide
CID 109178580
2-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176900
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177220
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109092619
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112990211
methyl 4-[[2-(butan-2-ylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165944
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 109179026

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate (CID 109178658) is methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccnc(Nc3c(F)cccc3F)c2)cc1.
What is the InChIKey of methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is CXJXZAYVXCUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c1-28-20(27)12-5-7-14(8-6-12)24-19(26)13-9-10-23-17(11-13)25-18-15(21)3-2-4-16(18)22/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate?
methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 383.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109178658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).