ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate

C22H20FN3O3 — CID 109189577

IUPACethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C22H20FN3O3/c1-2-29-22(28)17-8-4-6-10-19(17)26-21(27)20-12-11-16(14-25-20)24-13-15-7-3-5-9-18(15)23/h3-12,14,24H,2,13H2,1H3,(H,26,27)
InChIKeySGRCHTHSTDGDPO-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.26
Rot. Bonds7

About ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate

ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109189577) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
PubChem CID109189577
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Nameethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C22H20FN3O3/c1-2-29-22(28)17-8-4-6-10-19(17)26-21(27)20-12-11-16(14-25-20)24-13-15-7-3-5-9-18(15)23/h3-12,14,24H,2,13H2,1H3,(H,26,27)
InChIKeySGRCHTHSTDGDPO-UHFFFAOYSA-N
XLogP4.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218
N-(2-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190308
N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189516
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
ethyl 2-[[6-[(2-methylphenyl)methylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109118102
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate (CID 109189577) is ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(NCc2ccccc2F)cn1.
What is the InChIKey of ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is SGRCHTHSTDGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-2-29-22(28)17-8-4-6-10-19(17)26-21(27)20-12-11-16(14-25-20)24-13-15-7-3-5-9-18(15)23/h3-12,14,24H,2,13H2,1H3,(H,26,27).
What are the key properties of ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 393.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109189577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).