ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109188236

IUPACethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NCc2ccccc2C)nc1
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)19-10-6-7-11-20(19)26-18-12-13-21(24-15-18)22(27)25-14-17-9-5-4-8-16(17)2/h4-13,15,26H,3,14H2,1-2H3,(H,25,27)
InChIKeyOLIWGAKGJMXYLA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate

ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109188236) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109188236
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NCc2ccccc2C)nc1
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)19-10-6-7-11-20(19)26-18-12-13-21(24-15-18)22(27)25-14-17-9-5-4-8-16(17)2/h4-13,15,26H,3,14H2,1-2H3,(H,25,27)
InChIKeyOLIWGAKGJMXYLA-UHFFFAOYSA-N
XLogP4.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189418
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate (CID 109188236) is ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)NCc2ccccc2C)nc1.
What is the InChIKey of ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is OLIWGAKGJMXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-29-23(28)19-10-6-7-11-20(19)26-18-12-13-21(24-15-18)22(27)25-14-17-9-5-4-8-16(17)2/h4-13,15,26H,3,14H2,1-2H3,(H,25,27).
What are the key properties of ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate?
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109188236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).