5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide

C21H23F4N3O3 — CID 142471465

IUPAC5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide
SMILESCc1ccc(N)nc1.O=C(CNC(=O)C1CCCC1)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H15F4NO3.C6H8N2/c16-10-5-11(17)13(19)14(12(10)18)23-7-9(21)6-20-15(22)8-3-1-2-4-8;1-5-2-3-6(7)8-4-5/h5,8H,1-4,6-7H2,(H,20,22);2-4H,1H3,(H2,7,8)
InChIKeyYHMSYZLUTDXOIS-UHFFFAOYSA-N
MW441.43 g/mol
LogP3.47
Rot. Bonds6

About 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide

5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide (PubChem CID 142471465) has the molecular formula C21H23F4N3O3 and a molecular weight of 441.43 g/mol. Its IUPAC name is 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound Name5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide
PubChem CID142471465
Molecular FormulaC21H23F4N3O3
Molecular Weight441.43 g/mol
Exact Mass441.17
IUPAC Name5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide
SMILESCc1ccc(N)nc1.O=C(CNC(=O)C1CCCC1)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H15F4NO3.C6H8N2/c16-10-5-11(17)13(19)14(12(10)18)23-7-9(21)6-20-15(22)8-3-1-2-4-8;1-5-2-3-6(7)8-4-5/h5,8H,1-4,6-7H2,(H,20,22);2-4H,1H3,(H2,7,8)
InChIKeyYHMSYZLUTDXOIS-UHFFFAOYSA-N
XLogP3.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide?
The IUPAC name of 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide (CID 142471465) is 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide.
What is the SMILES notation for 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide?
The canonical SMILES for 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide is Cc1ccc(N)nc1.O=C(CNC(=O)C1CCCC1)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide?
The InChIKey is YHMSYZLUTDXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO3.C6H8N2/c16-10-5-11(17)13(19)14(12(10)18)23-7-9(21)6-20-15(22)8-3-1-2-4-8;1-5-2-3-6(7)8-4-5/h5,8H,1-4,6-7H2,(H,20,22);2-4H,1H3,(H2,7,8).
What are the key properties of 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide?
5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide has a molecular weight of 441.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridin-2-amine;N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 142471465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).