2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile

C17H18FN3O2 — CID 21073251

IUPAC2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(OCCCCOCc2ccccc2)nc1N
InChIInChI=1S/C17H18FN3O2/c18-15-10-14(11-19)16(20)21-17(15)23-9-5-4-8-22-12-13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,12H2,(H2,20,21)
InChIKeyUGRSZFUSKPPSBQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.05
Rot. Bonds8

About 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile

2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile (PubChem CID 21073251) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile
PubChem CID21073251
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(OCCCCOCc2ccccc2)nc1N
InChIInChI=1S/C17H18FN3O2/c18-15-10-14(11-19)16(20)21-17(15)23-9-5-4-8-22-12-13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,12H2,(H2,20,21)
InChIKeyUGRSZFUSKPPSBQ-UHFFFAOYSA-N
XLogP3.05
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile (CID 21073251) is 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile is N#Cc1cc(F)c(OCCCCOCc2ccccc2)nc1N.
What is the InChIKey of 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile?
The InChIKey is UGRSZFUSKPPSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-15-10-14(11-19)16(20)21-17(15)23-9-5-4-8-22-12-13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,12H2,(H2,20,21).
What are the key properties of 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile?
2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile has a molecular weight of 315.35 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-6-(4-phenylmethoxybutoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 21073251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).