methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate

C21H19N3O3 — CID 109241968

IUPACmethyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(Nc2cccc(C)c2)c1
InChIInChI=1S/C21H19N3O3/c1-14-6-5-7-16(10-14)23-17-11-15(12-22-13-17)20(25)24-19-9-4-3-8-18(19)21(26)27-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyQBJALRPTXHZWBG-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.17
Rot. Bonds5

About methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate

methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109241968) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109241968
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(Nc2cccc(C)c2)c1
InChIInChI=1S/C21H19N3O3/c1-14-6-5-7-16(10-14)23-17-11-15(12-22-13-17)20(25)24-19-9-4-3-8-18(19)21(26)27-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyQBJALRPTXHZWBG-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

methyl 2-[[5-(3-chloro-4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244895
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223896
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245916
methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226206
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 109241609
ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242711
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate (CID 109241968) is methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cncc(Nc2cccc(C)c2)c1.
What is the InChIKey of methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is QBJALRPTXHZWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-6-5-7-16(10-14)23-17-11-15(12-22-13-17)20(25)24-19-9-4-3-8-18(19)21(26)27-2/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[5-(3-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 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).