2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid

C22H25N3O6 — CID 53094003

IUPAC2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCOC(=O)C1CCCN(c2ncc(NC(=O)c3ccc(OC)cc3)cc2C(=O)O)C1
InChIInChI=1S/C22H25N3O6/c1-3-31-22(29)15-5-4-10-25(13-15)19-18(21(27)28)11-16(12-23-19)24-20(26)14-6-8-17(30-2)9-7-14/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyJOSFOGLBUZTXEQ-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.82
Rot. Bonds7

About 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid

2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53094003) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53094003
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCOC(=O)C1CCCN(c2ncc(NC(=O)c3ccc(OC)cc3)cc2C(=O)O)C1
InChIInChI=1S/C22H25N3O6/c1-3-31-22(29)15-5-4-10-25(13-15)19-18(21(27)28)11-16(12-23-19)24-20(26)14-6-8-17(30-2)9-7-14/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyJOSFOGLBUZTXEQ-UHFFFAOYSA-N
XLogP2.82
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid
CID 95075662
ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 53108497
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 93055536
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-methylbenzoyl)amino]benzoic acid
CID 94083629
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 93055549
5-[(2,4-dimethylphenyl)sulfonylamino]-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 93055555
5-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054137
5-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054136
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
6-[(4-chlorobenzoyl)amino]-2-(3-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 46326846
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid (CID 53094003) is 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid is CCOC(=O)C1CCCN(c2ncc(NC(=O)c3ccc(OC)cc3)cc2C(=O)O)C1.
What is the InChIKey of 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is JOSFOGLBUZTXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-3-31-22(29)15-5-4-10-25(13-15)19-18(21(27)28)11-16(12-23-19)24-20(26)14-6-8-17(30-2)9-7-14/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 427.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53094003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).