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

C21H19N3O4 — CID 109163904

IUPACmethyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C21H19N3O4/c1-27-18-10-6-5-9-17(18)24-20(25)14-11-12-19(22-13-14)23-16-8-4-3-7-15(16)21(26)28-2/h3-13H,1-2H3,(H,22,23)(H,24,25)
InChIKeyQYKKEDLXRVSPED-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.87
Rot. Bonds6

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

methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109163904) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109163904
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C21H19N3O4/c1-27-18-10-6-5-9-17(18)24-20(25)14-11-12-19(22-13-14)23-16-8-4-3-7-15(16)21(26)28-2/h3-13H,1-2H3,(H,22,23)(H,24,25)
InChIKeyQYKKEDLXRVSPED-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

6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
6-(2-methoxy-5-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164204
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
6-(2-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109163334
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
methyl 2-[[6-(4-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163056

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109163904) is methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2OC)cn1.
What is the InChIKey of methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is QYKKEDLXRVSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-18-10-6-5-9-17(18)24-20(25)14-11-12-19(22-13-14)23-16-8-4-3-7-15(16)21(26)28-2/h3-13H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 2-[[5-[(2-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-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109163904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).