methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate

C21H19N3O3 — CID 109162269

IUPACmethyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-6-9-17(10-7-14)23-19-11-8-16(13-22-19)20(25)24-18-5-3-4-15(12-18)21(26)27-2/h3-13H,1-2H3,(H,22,23)(H,24,25)
InChIKeyJJPOJGBBGUXNAP-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.17
Rot. Bonds5

About methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate

methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109162269) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109162269
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-6-9-17(10-7-14)23-19-11-8-16(13-22-19)20(25)24-18-5-3-4-15(12-18)21(26)27-2/h3-13H,1-2H3,(H,22,23)(H,24,25)
InChIKeyJJPOJGBBGUXNAP-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
methyl 3-[[5-[(2,6-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109162753
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109164633
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109164458
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate (CID 109162269) is methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)c1.
What is the InChIKey of methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is JJPOJGBBGUXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-6-9-17(10-7-14)23-19-11-8-16(13-22-19)20(25)24-18-5-3-4-15(12-18)21(26)27-2/h3-13H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109162269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).