N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide

C20H24FN3O2 — CID 118735737

IUPACN-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide
SMILESO=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2F)cc1
InChIInChI=1S/C20H24FN3O2/c21-20-18(4-3-10-22-20)16-6-8-17(9-7-16)23-19(25)5-1-2-11-24-12-14-26-15-13-24/h3-4,6-10H,1-2,5,11-15H2,(H,23,25)
InChIKeyYWJXRPRLPSIVDM-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.33
Rot. Bonds7

About N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide

N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide (PubChem CID 118735737) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide
PubChem CID118735737
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide
SMILESO=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2F)cc1
InChIInChI=1S/C20H24FN3O2/c21-20-18(4-3-10-22-20)16-6-8-17(9-7-16)23-19(25)5-1-2-11-24-12-14-26-15-13-24/h3-4,6-10H,1-2,5,11-15H2,(H,23,25)
InChIKeyYWJXRPRLPSIVDM-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide?
The IUPAC name of N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide (CID 118735737) is N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide.
What is the SMILES notation for N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide?
The canonical SMILES for N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide is O=C(CCCCN1CCOCC1)Nc1ccc(-c2cccnc2F)cc1.
What is the InChIKey of N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide?
The InChIKey is YWJXRPRLPSIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-20-18(4-3-10-22-20)16-6-8-17(9-7-16)23-19(25)5-1-2-11-24-12-14-26-15-13-24/h3-4,6-10H,1-2,5,11-15H2,(H,23,25).
What are the key properties of N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide?
N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide has a molecular weight of 357.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-3-pyridinyl)phenyl]-5-morpholin-4-ylpentanamide is sourced from PubChem (CID 118735737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).