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

C21H16FN3O4 — CID 109092619

IUPACmethyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccccc3F)ccn2)cc1
InChIInChI=1S/C21H16FN3O4/c1-29-21(28)13-6-8-15(9-7-13)24-20(27)18-12-14(10-11-23-18)19(26)25-17-5-3-2-4-16(17)22/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyYHKPLZLARGGTFQ-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.51
Rot. Bonds5

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

methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109092619) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
PubChem CID109092619
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Namemethyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccccc3F)ccn2)cc1
InChIInChI=1S/C21H16FN3O4/c1-29-21(28)13-6-8-15(9-7-13)24-20(27)18-12-14(10-11-23-18)19(26)25-17-5-3-2-4-16(17)22/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyYHKPLZLARGGTFQ-UHFFFAOYSA-N
XLogP3.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
2-N-(2-fluorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109092654
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177220
4-N-(3,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091879
2-N-(2-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092647
4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643
2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
2-N-(3-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092592
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092655
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (CID 109092619) is methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccccc3F)ccn2)cc1.
What is the InChIKey of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is YHKPLZLARGGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c1-29-21(28)13-6-8-15(9-7-13)24-20(27)18-12-14(10-11-23-18)19(26)25-17-5-3-2-4-16(17)22/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 393.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109092619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).