methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate

C23H23N3O3 — CID 109220533

IUPACmethyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3C)ccn2)cc1
InChIInChI=1S/C23H23N3O3/c1-14-11-15(2)21(16(3)12-14)25-19-9-10-24-20(13-19)22(27)26-18-7-5-17(6-8-18)23(28)29-4/h5-13H,1-4H3,(H,24,25)(H,26,27)
InChIKeyQMRAPUKLQVZNOD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.79
Rot. Bonds5

About methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109220533) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109220533
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3C)ccn2)cc1
InChIInChI=1S/C23H23N3O3/c1-14-11-15(2)21(16(3)12-14)25-19-9-10-24-20(13-19)22(27)26-18-7-5-17(6-8-18)23(28)29-4/h5-13H,1-4H3,(H,24,25)(H,26,27)
InChIKeyQMRAPUKLQVZNOD-UHFFFAOYSA-N
XLogP4.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-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

methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220466
methyl 3-[[4-(3,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219979
methyl 4-[[2-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315289
methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210134
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858
ethyl 4-[[4-(2,6-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222565
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate (CID 109220533) is methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3C)ccn2)cc1.
What is the InChIKey of methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is QMRAPUKLQVZNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-11-15(2)21(16(3)12-14)25-19-9-10-24-20(13-19)22(27)26-18-7-5-17(6-8-18)23(28)29-4/h5-13H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109220533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).