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

C19H21N3O4 — CID 109099195

IUPACmethyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)n2)c1
InChIInChI=1S/C19H21N3O4/c1-19(2,3)22-17(24)15-10-6-9-14(21-15)16(23)20-13-8-5-7-12(11-13)18(25)26-4/h5-11H,1-4H3,(H,20,23)(H,22,24)
InChIKeyOISSWXASJAGTFA-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.65
Rot. Bonds4

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

methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109099195) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109099195
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)n2)c1
InChIInChI=1S/C19H21N3O4/c1-19(2,3)22-17(24)15-10-6-9-14(21-15)16(23)20-13-8-5-7-12(11-13)18(25)26-4/h5-11H,1-4H3,(H,20,23)(H,22,24)
InChIKeyOISSWXASJAGTFA-UHFFFAOYSA-N
XLogP2.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109099186
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (CID 109099195) is methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)n2)c1.
What is the InChIKey of methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is OISSWXASJAGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(2,3)22-17(24)15-10-6-9-14(21-15)16(23)20-13-8-5-7-12(11-13)18(25)26-4/h5-11H,1-4H3,(H,20,23)(H,22,24).
What are the key properties of methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109099195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).