4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile

C18H18FN3O — CID 122539697

IUPAC4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(NCC2CCOCC2)cn1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-14(2-4-15)17-9-16(10-20)21-12-18(17)22-11-13-5-7-23-8-6-13/h1-4,9,12-13,22H,5-8,11H2
InChIKeyLGFXIHNLCPGXEG-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.60
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 122539697) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
PubChem CID122539697
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(NCC2CCOCC2)cn1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-14(2-4-15)17-9-16(10-20)21-12-18(17)22-11-13-5-7-23-8-6-13/h1-4,9,12-13,22H,5-8,11H2
InChIKeyLGFXIHNLCPGXEG-UHFFFAOYSA-N
XLogP3.60
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile (CID 122539697) is 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(NCC2CCOCC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is LGFXIHNLCPGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-3-1-14(2-4-15)17-9-16(10-20)21-12-18(17)22-11-13-5-7-23-8-6-13/h1-4,9,12-13,22H,5-8,11H2.
What are the key properties of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 311.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 122539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).