methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate

C21H16FN3O4 — CID 109092752

IUPACmethyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H16FN3O4/c1-29-21(28)14-3-2-4-17(11-14)25-19(26)13-9-10-23-18(12-13)20(27)24-16-7-5-15(22)6-8-16/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyBOOJLNCCQAUEQD-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.51
Rot. Bonds5

About methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate

methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109092752) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
PubChem CID109092752
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Namemethyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H16FN3O4/c1-29-21(28)14-3-2-4-17(11-14)25-19(26)13-9-10-23-18(12-13)20(27)24-16-7-5-15(22)6-8-16/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyBOOJLNCCQAUEQD-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

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Related Compounds

2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
methyl 3-[[2-[(4-fluorophenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109170694
4-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093066
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109092619

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate (CID 109092752) is methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is BOOJLNCCQAUEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c1-29-21(28)14-3-2-4-17(11-14)25-19(26)13-9-10-23-18(12-13)20(27)24-16-7-5-15(22)6-8-16/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate?
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-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 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109092752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).