methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate

C20H16FN3O3 — CID 109220818

IUPACmethyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2)ccn1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)16-4-2-3-5-17(16)24-19(25)18-12-15(10-11-22-18)23-14-8-6-13(21)7-9-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyUSBNGUNJAFCYEA-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.00
Rot. Bonds5

About methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate

methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109220818) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109220818
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Namemethyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2)ccn1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)16-4-2-3-5-17(16)24-19(25)18-12-15(10-11-22-18)23-14-8-6-13(21)7-9-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyUSBNGUNJAFCYEA-UHFFFAOYSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220605
methyl 2-[[2-(4-fluoroanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109336865
methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109093237
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220370

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate (CID 109220818) is methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2)ccn1.
What is the InChIKey of methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is USBNGUNJAFCYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-27-20(26)16-4-2-3-5-17(16)24-19(25)18-12-15(10-11-22-18)23-14-8-6-13(21)7-9-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 365.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109220818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).