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

C22H19N3O4 — CID 109100281

IUPACmethyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N3O4/c1-25(17-7-4-3-5-8-17)21(27)19-10-6-9-18(24-19)20(26)23-16-13-11-15(12-14-16)22(28)29-2/h3-14H,1-2H3,(H,23,26)
InChIKeyFSCPPBAVQOFYFX-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.40
Rot. Bonds5

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

methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109100281) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
PubChem CID109100281
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N3O4/c1-25(17-7-4-3-5-8-17)21(27)19-10-6-9-18(24-19)20(26)23-16-13-11-15(12-14-16)22(28)29-2/h3-14H,1-2H3,(H,23,26)
InChIKeyFSCPPBAVQOFYFX-UHFFFAOYSA-N
XLogP3.40
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109097311
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
6-N-methyl-2-N-(2-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100039
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
4-N-(4-methoxyphenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091500

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (CID 109100281) is methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is FSCPPBAVQOFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-25(17-7-4-3-5-8-17)21(27)19-10-6-9-18(24-19)20(26)23-16-13-11-15(12-14-16)22(28)29-2/h3-14H,1-2H3,(H,23,26).
What are the key properties of methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109100281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).