Skip to content

Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate

C34H30F3N2NaO3 — CID 153486638

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACsodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate
SMILESCc1ccc2ccccc2c1CN(Cc1ccc(-c2cc(C(C)(C)C(=O)[O-])ccn2)cc1)Cc1ccc(C(F)(F)F)o1.[Na+]
InChIInChI=1S/C34H31F3N2O3.Na/c1-22-8-11-24-6-4-5-7-28(24)29(22)21-39(20-27-14-15-31(42-27)34(35,36)37)19-23-9-12-25(13-10-23)30-18-26(16-17-38-30)33(2,3)32(40)41;/h4-18H,19-21H2,1-3H3,(H,40,41);/q;+1/p-1
InChIKeyLVELEBSTCLZOEJ-UHFFFAOYSA-M
MW594.61 g/mol
LogP4.06
Rot. Bonds9

About Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate

Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate (PubChem CID 153486638) has the molecular formula C34H30F3N2NaO3 and a molecular weight of 594.61 g/mol. Its IUPAC name is sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate.

Molecular Properties

Compound NameSodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate
PubChem CID153486638
Molecular FormulaC34H30F3N2NaO3
Molecular Weight594.61 g/mol
Exact Mass594.21
IUPAC Namesodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate
SMILESCc1ccc2ccccc2c1CN(Cc1ccc(-c2cc(C(C)(C)C(=O)[O-])ccn2)cc1)Cc1ccc(C(F)(F)F)o1.[Na+]
InChIInChI=1S/C34H31F3N2O3.Na/c1-22-8-11-24-6-4-5-7-28(24)29(22)21-39(20-27-14-15-31(42-27)34(35,36)37)19-23-9-12-25(13-10-23)30-18-26(16-17-38-30)33(2,3)32(40)41;/h4-18H,19-21H2,1-3H3,(H,40,41);/q;+1/p-1
InChIKeyLVELEBSTCLZOEJ-UHFFFAOYSA-M
XLogP4.06
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.61
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate?
The IUPAC name of Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate (CID 153486638) is sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate.
What is the SMILES notation for Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate?
The canonical SMILES for Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate is Cc1ccc2ccccc2c1CN(Cc1ccc(-c2cc(C(C)(C)C(=O)[O-])ccn2)cc1)Cc1ccc(C(F)(F)F)o1.[Na+].
What is the InChIKey of Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate?
The InChIKey is LVELEBSTCLZOEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H31F3N2O3.Na/c1-22-8-11-24-6-4-5-7-28(24)29(22)21-39(20-27-14-15-31(42-27)34(35,36)37)19-23-9-12-25(13-10-23)30-18-26(16-17-38-30)33(2,3)32(40)41;/h4-18H,19-21H2,1-3H3,(H,40,41);/q;+1/p-1.
What are the key properties of Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate?
Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate has a molecular weight of 594.61 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium 2-methyl-2-[2-[4-[[(2-methylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]propanoate is sourced from PubChem (CID 153486638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.