4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile

C19H21FN4O — CID 122539743

IUPAC4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(NCCCN2CCOCC2)cn1
InChIInChI=1S/C19H21FN4O/c20-16-4-2-15(3-5-16)18-12-17(13-21)23-14-19(18)22-6-1-7-24-8-10-25-11-9-24/h2-5,12,14,22H,1,6-11H2
InChIKeyJQDTUUJRMIEYGV-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.89
Rot. Bonds6

About 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 122539743) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile
PubChem CID122539743
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(NCCCN2CCOCC2)cn1
InChIInChI=1S/C19H21FN4O/c20-16-4-2-15(3-5-16)18-12-17(13-21)23-14-19(18)22-6-1-7-24-8-10-25-11-9-24/h2-5,12,14,22H,1,6-11H2
InChIKeyJQDTUUJRMIEYGV-UHFFFAOYSA-N
XLogP2.89
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.89
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 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile (CID 122539743) is 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(NCCCN2CCOCC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is JQDTUUJRMIEYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-4-2-15(3-5-16)18-12-17(13-21)23-14-19(18)22-6-1-7-24-8-10-25-11-9-24/h2-5,12,14,22H,1,6-11H2.
What are the key properties of 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile has a molecular weight of 340.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 122539743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).