methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

C22H19N3O4 — CID 109097311

IUPACmethyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C22H19N3O4/c1-29-22(28)16-10-12-17(13-11-16)24-21(27)19-9-5-8-18(25-19)20(26)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyJHMVCFUXVLKXPP-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.05
Rot. Bonds6

About methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109097311) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109097311
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C22H19N3O4/c1-29-22(28)16-10-12-17(13-11-16)24-21(27)19-9-5-8-18(25-19)20(26)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyJHMVCFUXVLKXPP-UHFFFAOYSA-N
XLogP3.05
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
6-N-(4-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097550
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (CID 109097311) is methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is JHMVCFUXVLKXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-22(28)16-10-12-17(13-11-16)24-21(27)19-9-5-8-18(25-19)20(26)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109097311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).