4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid

C21H28N4O7 — CID 143273552

IUPAC4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCOc1c(OC2CCN(C(=O)O)CC2)ccnc1Nc1ccc(CCCOOO)nc1C
InChIInChI=1S/C21H28N4O7/c1-14-17(6-5-15(23-14)4-3-13-30-32-28)24-20-19(29-2)18(7-10-22-20)31-16-8-11-25(12-9-16)21(26)27/h5-7,10,16,28H,3-4,8-9,11-13H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyWFYRTPMHRADKIM-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.41
Rot. Bonds10

About 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid

4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 143273552) has the molecular formula C21H28N4O7 and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID143273552
Molecular FormulaC21H28N4O7
Molecular Weight448.48 g/mol
Exact Mass448.20
IUPAC Name4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCOc1c(OC2CCN(C(=O)O)CC2)ccnc1Nc1ccc(CCCOOO)nc1C
InChIInChI=1S/C21H28N4O7/c1-14-17(6-5-15(23-14)4-3-13-30-32-28)24-20-19(29-2)18(7-10-22-20)31-16-8-11-25(12-9-16)21(26)27/h5-7,10,16,28H,3-4,8-9,11-13H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyWFYRTPMHRADKIM-UHFFFAOYSA-N
XLogP3.41
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567438
propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 91492715
[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567432
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
4-[[2-(5-fluoro-2-methyl-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 141148261
propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11569941
propan-2-yl 4-[[2-[[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 59314598
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463
4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141148279
[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567838
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 143273552) is 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid is COc1c(OC2CCN(C(=O)O)CC2)ccnc1Nc1ccc(CCCOOO)nc1C.
What is the InChIKey of 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is WFYRTPMHRADKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O7/c1-14-17(6-5-15(23-14)4-3-13-30-32-28)24-20-19(29-2)18(7-10-22-20)31-16-8-11-25(12-9-16)21(26)27/h5-7,10,16,28H,3-4,8-9,11-13H2,1-2H3,(H,22,24)(H,26,27).
What are the key properties of 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 448.48 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 143273552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).