5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile

C15H14FN3 — CID 133370048

IUPAC5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCCN(Cc1cccc(F)c1)c1ccc(C#N)nc1
InChIInChI=1S/C15H14FN3/c1-2-19(11-12-4-3-5-13(16)8-12)15-7-6-14(9-17)18-10-15/h3-8,10H,2,11H2,1H3
InChIKeyIYODYTRLYPWRIW-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.12
Rot. Bonds4

About 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile

5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 133370048) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID133370048
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCCN(Cc1cccc(F)c1)c1ccc(C#N)nc1
InChIInChI=1S/C15H14FN3/c1-2-19(11-12-4-3-5-13(16)8-12)15-7-6-14(9-17)18-10-15/h3-8,10H,2,11H2,1H3
InChIKeyIYODYTRLYPWRIW-UHFFFAOYSA-N
XLogP3.12
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile
CID 176963272
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
CID 60677065
N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
CID 63459009
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
5-[(3-aminophenyl)methyl-propan-2-ylamino]pyridine-2-carbonitrile
CID 115490479
4-[(3-aminophenyl)methyl-ethylamino]-2-methylbenzonitrile
CID 81278698
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile (CID 133370048) is 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile is CCN(Cc1cccc(F)c1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is IYODYTRLYPWRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-2-19(11-12-4-3-5-13(16)8-12)15-7-6-14(9-17)18-10-15/h3-8,10H,2,11H2,1H3.
What are the key properties of 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile?
5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133370048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).