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

C21H23N3O4 — CID 109103267

IUPACmethyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-7-9-24(10-8-14)20(26)17-11-16(12-22-13-17)19(25)23-18-5-3-15(4-6-18)21(27)28-2/h3-6,11-14H,7-10H2,1-2H3,(H,23,25)
InChIKeyIGDPOQOZXWZNFL-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.99
Rot. Bonds4

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

methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109103267) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
PubChem CID109103267
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C21H23N3O4/c1-14-7-9-24(10-8-14)20(26)17-11-16(12-22-13-17)19(25)23-18-5-3-15(4-6-18)21(27)28-2/h3-6,11-14H,7-10H2,1-2H3,(H,23,25)
InChIKeyIGDPOQOZXWZNFL-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

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Related Compounds

N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103257
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251
N-(3,4-dichlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103278
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248
methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240867
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-[4-[[5-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109227130
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate (CID 109103267) is methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cncc(C(=O)N3CCC(C)CC3)c2)cc1.
What is the InChIKey of methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is IGDPOQOZXWZNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-7-9-24(10-8-14)20(26)17-11-16(12-22-13-17)19(25)23-18-5-3-15(4-6-18)21(27)28-2/h3-6,11-14H,7-10H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-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-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109103267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).