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

C22H25N3O4 — CID 109089488

IUPACmethyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H25N3O4/c1-29-22(28)17-10-6-7-11-18(17)25-20(26)15-12-13-23-19(14-15)21(27)24-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,24,27)(H,25,26)
InChIKeySOFUIOWQYQQLDR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.57
Rot. Bonds5

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

methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109089488) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109089488
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemethyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H25N3O4/c1-29-22(28)17-10-6-7-11-18(17)25-20(26)15-12-13-23-19(14-15)21(27)24-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,24,27)(H,25,26)
InChIKeySOFUIOWQYQQLDR-UHFFFAOYSA-N
XLogP3.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109081318
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
methyl 2-[[4-(pentylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089807
4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081436
4-N-cycloheptyl-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089379
methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109093237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (CID 109089488) is methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is SOFUIOWQYQQLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-22(28)17-10-6-7-11-18(17)25-20(26)15-12-13-23-19(14-15)21(27)24-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,24,27)(H,25,26).
What are the key properties of methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 395.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109089488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).