1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C24H21F3N2O4 — CID 11612274

IUPAC1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H21F3N2O4/c25-24(26,27)19-10-7-15(13-28-19)14-33-20-17-6-2-1-5-16(17)8-9-18(20)21(30)29-23(22(31)32)11-3-4-12-23/h1-2,5-10,13H,3-4,11-12,14H2,(H,29,30)(H,31,32)
InChIKeyMRAROPRVBZDBAI-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.96
Rot. Bonds6

About 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 11612274) has the molecular formula C24H21F3N2O4 and a molecular weight of 458.44 g/mol. Its IUPAC name is 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID11612274
Molecular FormulaC24H21F3N2O4
Molecular Weight458.44 g/mol
Exact Mass458.15
IUPAC Name1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H21F3N2O4/c25-24(26,27)19-10-7-15(13-28-19)14-33-20-17-6-2-1-5-16(17)8-9-18(20)21(30)29-23(22(31)32)11-3-4-12-23/h1-2,5-10,13H,3-4,11-12,14H2,(H,29,30)(H,31,32)
InChIKeyMRAROPRVBZDBAI-UHFFFAOYSA-N
XLogP4.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 11612274) is 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MRAROPRVBZDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4/c25-24(26,27)19-10-7-15(13-28-19)14-33-20-17-6-2-1-5-16(17)8-9-18(20)21(30)29-23(22(31)32)11-3-4-12-23/h1-2,5-10,13H,3-4,11-12,14H2,(H,29,30)(H,31,32).
What are the key properties of 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 458.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11612274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).