2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile

C15H14FN3 — CID 4639012

IUPAC2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C15H14FN3/c1-3-13-9(2)14(12(8-17)15(18)19-13)10-4-6-11(16)7-5-10/h4-7H,3H2,1-2H3,(H2,18,19)
InChIKeyKCVBFGIOTMADBV-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.21
Rot. Bonds2

About 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile

2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 4639012) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID4639012
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C15H14FN3/c1-3-13-9(2)14(12(8-17)15(18)19-13)10-4-6-11(16)7-5-10/h4-7H,3H2,1-2H3,(H2,18,19)
InChIKeyKCVBFGIOTMADBV-UHFFFAOYSA-N
XLogP3.21
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile (CID 4639012) is 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile is CCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C.
What is the InChIKey of 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is KCVBFGIOTMADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-3-13-9(2)14(12(8-17)15(18)19-13)10-4-6-11(16)7-5-10/h4-7H,3H2,1-2H3,(H2,18,19).
What are the key properties of 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-4-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 4639012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).