methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate

C21H19N3O3 — CID 109197694

IUPACmethyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C21H19N3O3/c1-24(17-6-4-3-5-7-17)18-12-13-19(22-14-18)20(25)23-16-10-8-15(9-11-16)21(26)27-2/h3-14H,1-2H3,(H,23,25)
InChIKeyMIGGBCHKNUGKLD-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.89
Rot. Bonds5

About methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109197694) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109197694
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C21H19N3O3/c1-24(17-6-4-3-5-7-17)18-12-13-19(22-14-18)20(25)23-16-10-8-15(9-11-16)21(26)27-2/h3-14H,1-2H3,(H,23,25)
InChIKeyMIGGBCHKNUGKLD-UHFFFAOYSA-N
XLogP3.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197652
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109196665
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 3-[[2-(N-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266014
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate (CID 109197694) is methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(N(C)c3ccccc3)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is MIGGBCHKNUGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24(17-6-4-3-5-7-17)18-12-13-19(22-14-18)20(25)23-16-10-8-15(9-11-16)21(26)27-2/h3-14H,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109197694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).