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

C22H21N3O3 — CID 109176780

IUPACmethyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(Nc2c(C)cccc2C)c1
InChIInChI=1S/C22H21N3O3/c1-14-7-6-8-15(2)20(14)25-19-13-16(11-12-23-19)21(26)24-18-10-5-4-9-17(18)22(27)28-3/h4-13H,1-3H3,(H,23,25)(H,24,26)
InChIKeySOLVDEAQBPGRLR-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.48
Rot. Bonds5

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

methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109176780) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109176780
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(Nc2c(C)cccc2C)c1
InChIInChI=1S/C22H21N3O3/c1-14-7-6-8-15(2)20(14)25-19-13-16(11-12-23-19)21(26)24-18-10-5-4-9-17(18)22(27)28-3/h4-13H,1-3H3,(H,23,25)(H,24,26)
InChIKeySOLVDEAQBPGRLR-UHFFFAOYSA-N
XLogP4.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate (CID 109176780) is methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccnc(Nc2c(C)cccc2C)c1.
What is the InChIKey of methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is SOLVDEAQBPGRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-7-6-8-15(2)20(14)25-19-13-16(11-12-23-19)21(26)24-18-10-5-4-9-17(18)22(27)28-3/h4-13H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109176780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).