6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid

C26H28N4O4 — CID 69402361

IUPAC6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C26H28N4O4/c1-29(21-13-15-30(16-14-21)24-12-7-19(17-27-24)26(32)33)18-25(31)28-20-8-10-23(11-9-20)34-22-5-3-2-4-6-22/h2-12,17,21H,13-16,18H2,1H3,(H,28,31)(H,32,33)
InChIKeyAHNZLTMOAUGVBZ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.11
Rot. Bonds8

About 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 69402361) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID69402361
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C26H28N4O4/c1-29(21-13-15-30(16-14-21)24-12-7-19(17-27-24)26(32)33)18-25(31)28-20-8-10-23(11-9-20)34-22-5-3-2-4-6-22/h2-12,17,21H,13-16,18H2,1H3,(H,28,31)(H,32,33)
InChIKeyAHNZLTMOAUGVBZ-UHFFFAOYSA-N
XLogP4.11
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-[[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]azepan-1-yl]methyl]benzoic acid
CID 44567833
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
4-[[4-[methyl-[2-oxo-2-[4-(4-pyrrol-1-ylphenoxy)anilino]ethyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 69410266
4-[[2-iodo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]piperidin-4-yl]-methylamino]benzoic acid
CID 69400574
4-[[4-[[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 69402446
4-[[(2R)-2-[[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 69400413
3-fluoro-4-[[4-[methyl-[2-[4-[4-(1,3-oxazol-2-yl)phenoxy]anilino]-2-oxoethyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 69409879
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
4-[methyl-[3-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]propyl]amino]benzoic acid
CID 69418921

Frequently Asked Questions

What is the IUPAC name of 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid (CID 69402361) is 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid is CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is AHNZLTMOAUGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-29(21-13-15-30(16-14-21)24-12-7-19(17-27-24)26(32)33)18-25(31)28-20-8-10-23(11-9-20)34-22-5-3-2-4-6-22/h2-12,17,21H,13-16,18H2,1H3,(H,28,31)(H,32,33).
What are the key properties of 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 460.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 69402361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).