methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

C19H21N3O4 — CID 109094522

IUPACmethyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)n2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)11-20-17(23)15-8-5-9-16(22-15)18(24)21-14-7-4-6-13(10-14)19(25)26-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNZKZKPHZQHYOLK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.51
Rot. Bonds6

About methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109094522) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109094522
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)n2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)11-20-17(23)15-8-5-9-16(22-15)18(24)21-14-7-4-6-13(10-14)19(25)26-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNZKZKPHZQHYOLK-UHFFFAOYSA-N
XLogP2.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
6-N-(3,4-dimethoxyphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094513
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
methyl 3-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110694272

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (CID 109094522) is methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)n2)c1.
What is the InChIKey of methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is NZKZKPHZQHYOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)11-20-17(23)15-8-5-9-16(22-15)18(24)21-14-7-4-6-13(10-14)19(25)26-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109094522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).