6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile

C20H17FN4 — CID 133384302

IUPAC6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N(CCc2ccccn2)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17FN4/c21-18-7-4-16(5-8-18)15-25(12-10-19-3-1-2-11-23-19)20-9-6-17(13-22)14-24-20/h1-9,11,14H,10,12,15H2
InChIKeyWDQZHURGYLLKLK-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.74
Rot. Bonds6

About 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile

6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile (PubChem CID 133384302) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile
PubChem CID133384302
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N(CCc2ccccn2)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17FN4/c21-18-7-4-16(5-8-18)15-25(12-10-19-3-1-2-11-23-19)20-9-6-17(13-22)14-24-20/h1-9,11,14H,10,12,15H2
InChIKeyWDQZHURGYLLKLK-UHFFFAOYSA-N
XLogP3.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine
CID 71866080
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
2-[(4-methoxyphenyl)methyl-(2-pyridin-2-ylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 100642351
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 167868362
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 119875113
4-[[(5-nitro-2-pyridinyl)-propylamino]methyl]benzonitrile
CID 133384023
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile (CID 133384302) is 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(N(CCc2ccccn2)Cc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile?
The InChIKey is WDQZHURGYLLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-18-7-4-16(5-8-18)15-25(12-10-19-3-1-2-11-23-19)20-9-6-17(13-22)14-24-20/h1-9,11,14H,10,12,15H2.
What are the key properties of 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile?
6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile has a molecular weight of 332.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133384302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).