5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C24H20ClF4N3O4 — CID 175102230

IUPAC5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)nc2Oc2ccc(F)cc2OC2CCCC2)ccn1
InChIInChI=1S/C24H20ClF4N3O4/c1-34-20-11-14(8-9-30-20)31-22(33)16-12-17(25)21(24(27,28)29)32-23(16)36-18-7-6-13(26)10-19(18)35-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,30,31,33)
InChIKeyUQRTWDIWJNOAND-UHFFFAOYSA-N
MW525.89 g/mol
LogP6.66
Rot. Bonds7

About 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175102230) has the molecular formula C24H20ClF4N3O4 and a molecular weight of 525.89 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175102230
Molecular FormulaC24H20ClF4N3O4
Molecular Weight525.89 g/mol
Exact Mass525.11
IUPAC Name5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)nc2Oc2ccc(F)cc2OC2CCCC2)ccn1
InChIInChI=1S/C24H20ClF4N3O4/c1-34-20-11-14(8-9-30-20)31-22(33)16-12-17(25)21(24(27,28)29)32-23(16)36-18-7-6-13(26)10-19(18)35-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,30,31,33)
InChIKeyUQRTWDIWJNOAND-UHFFFAOYSA-N
XLogP6.66
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.89
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175102230) is 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)nc2Oc2ccc(F)cc2OC2CCCC2)ccn1.
What is the InChIKey of 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UQRTWDIWJNOAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF4N3O4/c1-34-20-11-14(8-9-30-20)31-22(33)16-12-17(25)21(24(27,28)29)32-23(16)36-18-7-6-13(26)10-19(18)35-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,30,31,33).
What are the key properties of 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 525.89 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175102230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).