methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate

C21H23N3O4 — CID 109099751

IUPACmethyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-5-4-12-24(13-14)20(26)18-7-3-6-17(23-18)19(25)22-16-10-8-15(9-11-16)21(27)28-2/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,22,25)
InChIKeyFAWYQOHNYZAUDL-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.99
Rot. Bonds4

About methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109099751) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109099751
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-5-4-12-24(13-14)20(26)18-7-3-6-17(23-18)19(25)22-16-10-8-15(9-11-16)21(27)28-2/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,22,25)
InChIKeyFAWYQOHNYZAUDL-UHFFFAOYSA-N
XLogP2.99
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099717
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
N-(2,3-dichlorophenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099767
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
6-(3-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109099715
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
N-[2-(dimethylamino)ethyl]-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109096331
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate (CID 109099751) is methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCC(C)C3)n2)cc1.
What is the InChIKey of methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is FAWYQOHNYZAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-5-4-12-24(13-14)20(26)18-7-3-6-17(23-18)19(25)22-16-10-8-15(9-11-16)21(27)28-2/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,22,25).
What are the key properties of methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109099751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).