methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate

C17H19N3O4 — CID 109166947

IUPACmethyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCOCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)ccn1
InChIInChI=1S/C17H19N3O4/c1-23-10-9-19-15-11-12(7-8-18-15)16(21)20-14-6-4-3-5-13(14)17(22)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJRGPKKUQBDVWQD-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.18
Rot. Bonds7

About methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate

methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109166947) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109166947
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Namemethyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCOCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)ccn1
InChIInChI=1S/C17H19N3O4/c1-23-10-9-19-15-11-12(7-8-18-15)16(21)20-14-6-4-3-5-13(14)17(22)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJRGPKKUQBDVWQD-UHFFFAOYSA-N
XLogP2.18
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109342870
ethyl 2-[[2-(butylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165643
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176780
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
2-(2-methoxyethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109166957
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate (CID 109166947) is methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate is COCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)ccn1.
What is the InChIKey of methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is JRGPKKUQBDVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-10-9-19-15-11-12(7-8-18-15)16(21)20-14-6-4-3-5-13(14)17(22)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 329.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109166947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).