2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

C24H23F3N2O6 — CID 11533291

IUPAC2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCOc1c(OCC(F)(F)F)ccnc1COc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H23F3N2O6/c1-23(2,22(31)32)29-21(30)16-9-8-14-6-4-5-7-15(14)19(16)34-12-17-20(33-3)18(10-11-28-17)35-13-24(25,26)27/h4-11H,12-13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyVTUDYNACAXZZDL-UHFFFAOYSA-N
MW492.45 g/mol
LogP4.36
Rot. Bonds9

About 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 11533291) has the molecular formula C24H23F3N2O6 and a molecular weight of 492.45 g/mol. Its IUPAC name is 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID11533291
Molecular FormulaC24H23F3N2O6
Molecular Weight492.45 g/mol
Exact Mass492.15
IUPAC Name2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCOc1c(OCC(F)(F)F)ccnc1COc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H23F3N2O6/c1-23(2,22(31)32)29-21(30)16-9-8-14-6-4-5-7-15(14)19(16)34-12-17-20(33-3)18(10-11-28-17)35-13-24(25,26)27/h4-11H,12-13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyVTUDYNACAXZZDL-UHFFFAOYSA-N
XLogP4.36
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid (CID 11533291) is 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid is COc1c(OCC(F)(F)F)ccnc1COc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is VTUDYNACAXZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O6/c1-23(2,22(31)32)29-21(30)16-9-8-14-6-4-5-7-15(14)19(16)34-12-17-20(33-3)18(10-11-28-17)35-13-24(25,26)27/h4-11H,12-13H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 492.45 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 11533291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).