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

C21H23N3O4 — CID 109095382

IUPACmethyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-28-21(27)14-10-12-16(13-11-14)23-20(26)18-9-5-8-17(24-18)19(25)22-15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7H2,1H3,(H,22,25)(H,23,26)
InChIKeyNFDUGJLHHSMWDF-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.18
Rot. Bonds5

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

methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109095382) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109095382
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-28-21(27)14-10-12-16(13-11-14)23-20(26)18-9-5-8-17(24-18)19(25)22-15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7H2,1H3,(H,22,25)(H,23,26)
InChIKeyNFDUGJLHHSMWDF-UHFFFAOYSA-N
XLogP3.18
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-acetylphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095061
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
6-N-cyclopentyl-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095033
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099751
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate (CID 109095382) is methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is NFDUGJLHHSMWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-28-21(27)14-10-12-16(13-11-14)23-20(26)18-9-5-8-17(24-18)19(25)22-15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7H2,1H3,(H,22,25)(H,23,26).
What are the key properties of methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109095382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).