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

C19H21FN4O — CID 122539734

IUPAC4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile
SMILESCC(CNc1cnc(C#N)cc1-c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H21FN4O/c1-14(24-6-8-25-9-7-24)12-23-19-13-22-17(11-21)10-18(19)15-2-4-16(20)5-3-15/h2-5,10,13-14,23H,6-9,12H2,1H3
InChIKeyJSBISFZJBDKYEU-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.89
Rot. Bonds5

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

4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 122539734) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile
PubChem CID122539734
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile
SMILESCC(CNc1cnc(C#N)cc1-c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H21FN4O/c1-14(24-6-8-25-9-7-24)12-23-19-13-22-17(11-21)10-18(19)15-2-4-16(20)5-3-15/h2-5,10,13-14,23H,6-9,12H2,1H3
InChIKeyJSBISFZJBDKYEU-UHFFFAOYSA-N
XLogP2.89
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile (CID 122539734) is 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile is CC(CNc1cnc(C#N)cc1-c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is JSBISFZJBDKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-14(24-6-8-25-9-7-24)12-23-19-13-22-17(11-21)10-18(19)15-2-4-16(20)5-3-15/h2-5,10,13-14,23H,6-9,12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile has a molecular weight of 340.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 122539734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).