methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C21H19N3O4 — CID 109199882

IUPACmethyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(OC)cc2)nc1
InChIInChI=1S/C21H19N3O4/c1-27-16-10-7-14(8-11-16)24-20(25)19-12-9-15(13-22-19)23-18-6-4-3-5-17(18)21(26)28-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyRKMGKCZWTRHZEE-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.87
Rot. Bonds6

About methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109199882) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109199882
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(OC)cc2)nc1
InChIInChI=1S/C21H19N3O4/c1-27-16-10-7-14(8-11-16)24-20(25)19-12-9-15(13-22-19)23-18-6-4-3-5-17(18)21(26)28-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyRKMGKCZWTRHZEE-UHFFFAOYSA-N
XLogP3.87
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199740
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109199091
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002
methyl 2-[[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109292025

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109199882) is methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(OC)cc2)nc1.
What is the InChIKey of methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is RKMGKCZWTRHZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-16-10-7-14(8-11-16)24-20(25)19-12-9-15(13-22-19)23-18-6-4-3-5-17(18)21(26)28-2/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109199882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).