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

C22H25N3O4 — CID 109095536

IUPACethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C22H25N3O4/c1-3-29-22(28)16-7-9-17(10-8-16)23-20(26)18-5-4-6-19(24-18)21(27)25-13-11-15(2)12-14-25/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyADBOWLOHRVUWBH-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.38
Rot. Bonds5

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

ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109095536) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109095536
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C22H25N3O4/c1-3-29-22(28)16-7-9-17(10-8-16)23-20(26)18-5-4-6-19(24-18)21(27)25-13-11-15(2)12-14-25/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyADBOWLOHRVUWBH-UHFFFAOYSA-N
XLogP3.38
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095481
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099751
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781
N-(3,4-difluorophenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095552
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109275343
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095533
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate (CID 109095536) is ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCC(C)CC3)n2)cc1.
What is the InChIKey of ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is ADBOWLOHRVUWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-29-22(28)16-7-9-17(10-8-16)23-20(26)18-5-4-6-19(24-18)21(27)25-13-11-15(2)12-14-25/h4-10,15H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate?
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 395.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109095536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).