ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate

C23H23N3O3 — CID 109169893

IUPACethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccnc(NCc2cccc(C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)19-9-4-5-10-20(19)26-22(27)18-11-12-24-21(14-18)25-15-17-8-6-7-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHJNFEZGMASPXNN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.43
Rot. Bonds7

About ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate

ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109169893) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
PubChem CID109169893
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccnc(NCc2cccc(C)c2)c1
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)19-9-4-5-10-20(19)26-22(27)18-11-12-24-21(14-18)25-15-17-8-6-7-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHJNFEZGMASPXNN-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]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

N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165643
ethyl 2-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175109
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871899
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
ethyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350266
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate (CID 109169893) is ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccnc(NCc2cccc(C)c2)c1.
What is the InChIKey of ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is HJNFEZGMASPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-29-23(28)19-9-4-5-10-20(19)26-22(27)18-11-12-24-21(14-18)25-15-17-8-6-7-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109169893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).