methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate

C22H21N3O4 — CID 109171161

IUPACmethyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccnc(NCc3ccccc3OC)c2)c1
InChIInChI=1S/C22H21N3O4/c1-28-19-9-4-3-6-17(19)14-24-20-13-15(10-11-23-20)21(26)25-18-8-5-7-16(12-18)22(27)29-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZAMKDJMLNQXDAT-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.74
Rot. Bonds7

About methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate

methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109171161) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
PubChem CID109171161
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccnc(NCc3ccccc3OC)c2)c1
InChIInChI=1S/C22H21N3O4/c1-28-19-9-4-3-6-17(19)14-24-20-13-15(10-11-23-20)21(26)25-18-8-5-7-16(12-18)22(27)29-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZAMKDJMLNQXDAT-UHFFFAOYSA-N
XLogP3.74
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348921
N-(3-acetylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172828
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
methyl 3-[[2-[(4-fluorophenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109170694
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170837
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
methyl 3-[(2-methoxyphenyl)methylcarbamothioylamino]benzoate
CID 100591236

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate (CID 109171161) is methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccnc(NCc3ccccc3OC)c2)c1.
What is the InChIKey of methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is ZAMKDJMLNQXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-19-9-4-3-6-17(19)14-24-20-13-15(10-11-23-20)21(26)25-18-8-5-7-16(12-18)22(27)29-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate?
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 391.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109171161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).