methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

C21H19N3O4 — CID 109163985

IUPACmethyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C21H19N3O4/c1-27-16-7-5-6-15(12-16)23-20(25)14-10-11-19(22-13-14)24-18-9-4-3-8-17(18)21(26)28-2/h3-13H,1-2H3,(H,22,24)(H,23,25)
InChIKeyIXUXHPIKXSPRLB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.87
Rot. Bonds6

About methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109163985) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109163985
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C21H19N3O4/c1-27-16-7-5-6-15(12-16)23-20(25)14-10-11-19(22-13-14)24-18-9-4-3-8-17(18)21(26)28-2/h3-13H,1-2H3,(H,22,24)(H,23,25)
InChIKeyIXUXHPIKXSPRLB-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

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Related Compounds

methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109164458
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
N-(3-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109163087
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109164310
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109163985) is methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc(OC)c2)cn1.
What is the InChIKey of methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is IXUXHPIKXSPRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-16-7-5-6-15(12-16)23-20(25)14-10-11-19(22-13-14)24-18-9-4-3-8-17(18)21(26)28-2/h3-13H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-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-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109163985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).