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

C22H21N3O3 — CID 109210134

IUPACmethyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(NCc3ccccc3C)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-5-3-4-6-17(15)14-24-19-11-12-23-20(13-19)21(26)25-18-9-7-16(8-10-18)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUNJXCBYKRYBZCU-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.04
Rot. Bonds6

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

methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109210134) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
PubChem CID109210134
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(NCc3ccccc3C)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-5-3-4-6-17(15)14-24-19-11-12-23-20(13-19)21(26)25-18-9-7-16(8-10-18)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUNJXCBYKRYBZCU-UHFFFAOYSA-N
XLogP4.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109211355
methyl 4-[[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]amino]benzoate
CID 109255774
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
N-(2-ethoxyphenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210117
N-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212097
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111
ethyl 4-[[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109346884
4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109211739
methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220533
N-(3,5-dimethylphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212083
methyl 3-[[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109346873

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate (CID 109210134) is methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(NCc3ccccc3C)ccn2)cc1.
What is the InChIKey of methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is UNJXCBYKRYBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-5-3-4-6-17(15)14-24-19-11-12-23-20(13-19)21(26)25-18-9-7-16(8-10-18)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109210134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).