ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate

C21H25N3O3 — CID 109175803

IUPACethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-27-21(26)16-6-8-18(9-7-16)23-20(25)17-10-11-22-19(13-17)24-12-4-5-15(2)14-24/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,23,25)
InChIKeyXKYORGYLJUYANC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.75
Rot. Bonds5

About ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate

ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109175803) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109175803
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-27-21(26)16-6-8-18(9-7-16)23-20(25)17-10-11-22-19(13-17)24-12-4-5-15(2)14-24/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,23,25)
InChIKeyXKYORGYLJUYANC-UHFFFAOYSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
ethyl 4-[[5-amino-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139956
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 136544144
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate (CID 109175803) is ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCCC(C)C3)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is XKYORGYLJUYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-27-21(26)16-6-8-18(9-7-16)23-20(25)17-10-11-22-19(13-17)24-12-4-5-15(2)14-24/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate?
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 367.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109175803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).