6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile

C17H17FN4 — CID 133411893

IUPAC6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCCN(c3ccccc3F)C2)nc1
InChIInChI=1S/C17H17FN4/c18-15-5-1-2-6-16(15)22-9-3-4-14(12-22)21-17-8-7-13(10-19)11-20-17/h1-2,5-8,11,14H,3-4,9,12H2,(H,20,21)
InChIKeyHQSBTGLOVBKDER-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.17
Rot. Bonds3

About 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile

6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 133411893) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID133411893
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCCN(c3ccccc3F)C2)nc1
InChIInChI=1S/C17H17FN4/c18-15-5-1-2-6-16(15)22-9-3-4-14(12-22)21-17-8-7-13(10-19)11-20-17/h1-2,5-8,11,14H,3-4,9,12H2,(H,20,21)
InChIKeyHQSBTGLOVBKDER-UHFFFAOYSA-N
XLogP3.17
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[3-(pyrazin-2-ylamino)piperidin-1-yl]benzonitrile
CID 133296356
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 136560083
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133411802
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
2-fluoro-6-[3-(pyrimidin-4-ylamino)pyrrolidin-1-yl]benzonitrile
CID 171996388
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
3-fluoro-4-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]benzonitrile
CID 133296310
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
CID 133411831

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 133411893) is 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCCN(c3ccccc3F)C2)nc1.
What is the InChIKey of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is HQSBTGLOVBKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c18-15-5-1-2-6-16(15)22-9-3-4-14(12-22)21-17-8-7-13(10-19)11-20-17/h1-2,5-8,11,14H,3-4,9,12H2,(H,20,21).
What are the key properties of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133411893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).