4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide

C17H16F3N3O3 — CID 22145853

IUPAC4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C17H16F3N3O3/c1-25-13-8-21-11(6-12(13)26-9-4-2-3-5-9)17(24)23-15-10(18)7-22-16(20)14(15)19/h6-9H,2-5H2,1H3,(H,22,23,24)
InChIKeyTVZQJZNUTAIXPI-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.48
Rot. Bonds5

About 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide

4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 22145853) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide
PubChem CID22145853
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C17H16F3N3O3/c1-25-13-8-21-11(6-12(13)26-9-4-2-3-5-9)17(24)23-15-10(18)7-22-16(20)14(15)19/h6-9H,2-5H2,1H3,(H,22,23,24)
InChIKeyTVZQJZNUTAIXPI-UHFFFAOYSA-N
XLogP3.48
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide (CID 22145853) is 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide is COc1cnc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide?
The InChIKey is TVZQJZNUTAIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-25-13-8-21-11(6-12(13)26-9-4-2-3-5-9)17(24)23-15-10(18)7-22-16(20)14(15)19/h6-9H,2-5H2,1H3,(H,22,23,24).
What are the key properties of 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide?
4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 22145853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).