methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate

C22H21N3O3 — CID 109188819

IUPACmethyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NCc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-3-5-16(6-4-15)13-23-19-11-12-20(24-14-19)21(26)25-18-9-7-17(8-10-18)22(27)28-2/h3-12,14,23H,13H2,1-2H3,(H,25,26)
InChIKeyIFGZLUCURHELAE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.04
Rot. Bonds6

About methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate

methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109188819) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
PubChem CID109188819
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NCc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-3-5-16(6-4-15)13-23-19-11-12-20(24-14-19)21(26)25-18-9-7-17(8-10-18)22(27)28-2/h3-12,14,23H,13H2,1-2H3,(H,25,26)
InChIKeyIFGZLUCURHELAE-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

Analyze methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate (CID 109188819) is methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(NCc3ccc(C)cc3)cn2)cc1.
What is the InChIKey of methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is IFGZLUCURHELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-3-5-16(6-4-15)13-23-19-11-12-20(24-14-19)21(26)25-18-9-7-17(8-10-18)22(27)28-2/h3-12,14,23H,13H2,1-2H3,(H,25,26).
What are the key properties of methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[5-[(4-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-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109188819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).