ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate

C22H25N3O4 — CID 109107562

IUPACethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cncc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C22H25N3O4/c1-3-29-22(28)18-8-4-5-9-19(18)24-20(26)16-11-17(13-23-12-16)21(27)25-10-6-7-15(2)14-25/h4-5,8-9,11-13,15H,3,6-7,10,14H2,1-2H3,(H,24,26)
InChIKeyUTUPVANUSBJSFF-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.38
Rot. Bonds5

About ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate

ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109107562) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
PubChem CID109107562
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cncc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C22H25N3O4/c1-3-29-22(28)18-8-4-5-9-19(18)24-20(26)16-11-17(13-23-12-16)21(27)25-10-6-7-15(2)14-25/h4-5,8-9,11-13,15H,3,6-7,10,14H2,1-2H3,(H,24,26)
InChIKeyUTUPVANUSBJSFF-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-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107563
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
CID 109044984
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
N-(2,4-difluorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107554
N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056550
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
ethyl 4-[5-[(2-methylphenyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106680
N-(3-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107515
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
ethyl 2-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109312862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate (CID 109107562) is ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cncc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is UTUPVANUSBJSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-29-22(28)18-8-4-5-9-19(18)24-20(26)16-11-17(13-23-12-16)21(27)25-10-6-7-15(2)14-25/h4-5,8-9,11-13,15H,3,6-7,10,14H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-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 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109107562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).