methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate

C22H21N3O3 — CID 109170353

IUPACmethyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C22H21N3O3/c1-25(15-16-8-4-3-5-9-16)20-14-17(12-13-23-20)21(26)24-19-11-7-6-10-18(19)22(27)28-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyRNZCLWNNJWGTPO-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.76
Rot. Bonds6

About methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate

methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109170353) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
PubChem CID109170353
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C22H21N3O3/c1-25(15-16-8-4-3-5-9-16)20-14-17(12-13-23-20)21(26)24-19-11-7-6-10-18(19)22(27)28-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyRNZCLWNNJWGTPO-UHFFFAOYSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170343
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
CID 56543998
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
ethyl 2-[[2-[benzyl(methyl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109256866
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170290
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176780

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate (CID 109170353) is methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccnc(N(C)Cc2ccccc2)c1.
What is the InChIKey of methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is RNZCLWNNJWGTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25(15-16-8-4-3-5-9-16)20-14-17(12-13-23-20)21(26)24-19-11-7-6-10-18(19)22(27)28-2/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109170353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).