methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate

C20H23N3O3 — CID 109240867

IUPACmethyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-4-3-9-23(13-14)18-10-16(11-21-12-18)19(24)22-17-7-5-15(6-8-17)20(25)26-2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,22,24)
InChIKeyTWZAWRRARHPXMF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.36
Rot. Bonds4

About methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109240867) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
PubChem CID109240867
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-4-3-9-23(13-14)18-10-16(11-21-12-18)19(24)22-17-7-5-15(6-8-17)20(25)26-2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,22,24)
InChIKeyTWZAWRRARHPXMF-UHFFFAOYSA-N
XLogP3.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240868
methyl 4-[(3S)-3-methylpiperidin-1-yl]benzoate
CID 90090006
methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109103267
5-(3-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109224030
5-(3-methylpiperidin-1-yl)-N-propylpyridine-3-carboxamide
CID 109222844
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227293
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate (CID 109240867) is methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cncc(N3CCCC(C)C3)c2)cc1.
What is the InChIKey of methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is TWZAWRRARHPXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-4-3-9-23(13-14)18-10-16(11-21-12-18)19(24)22-17-7-5-15(6-8-17)20(25)26-2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109240867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).