ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109219823

IUPACethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(28)18-7-5-6-8-19(18)25-17-11-12-24-21(14-17)22(27)26-20-13-15(2)9-10-16(20)3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMPUFZOQSWIRTOK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.87
Rot. Bonds6

About ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate

ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109219823) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109219823
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(28)18-7-5-6-8-19(18)25-17-11-12-24-21(14-17)22(27)26-20-13-15(2)9-10-16(20)3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyMPUFZOQSWIRTOK-UHFFFAOYSA-N
XLogP4.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220888
ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222691
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220370
ethyl 2-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266672
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109219823) is ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is MPUFZOQSWIRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-29-23(28)18-7-5-6-8-19(18)25-17-11-12-24-21(14-17)22(27)26-20-13-15(2)9-10-16(20)3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109219823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).