methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C20H16FN3O3 — CID 109198978

IUPACmethyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)13-2-6-15(7-3-13)23-17-10-11-18(22-12-17)19(25)24-16-8-4-14(21)5-9-16/h2-12,23H,1H3,(H,24,25)
InChIKeyNYTDUELIWPVFLD-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.00
Rot. Bonds5

About methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109198978) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109198978
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Namemethyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)13-2-6-15(7-3-13)23-17-10-11-18(22-12-17)19(25)24-16-8-4-14(21)5-9-16/h2-12,23H,1H3,(H,24,25)
InChIKeyNYTDUELIWPVFLD-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 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199100
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198302
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109198978) is methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is NYTDUELIWPVFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-27-20(26)13-2-6-15(7-3-13)23-17-10-11-18(22-12-17)19(25)24-16-8-4-14(21)5-9-16/h2-12,23H,1H3,(H,24,25).
What are the key properties of methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]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 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109198978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).