5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile

C18H16F2N4O — CID 125138338

IUPAC5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1
InChIInChI=1S/C18H16F2N4O/c19-13-4-3-12(16(20)8-13)11-24-7-1-2-17(18(24)25)23-15-6-5-14(9-21)22-10-15/h3-6,8,10,17,23H,1-2,7,11H2/t17-/m1/s1
InChIKeyPJDBZNALZDVEGL-QGZVFWFLSA-N
MW342.35 g/mol
LogP2.83
Rot. Bonds4

About 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile

5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 125138338) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID125138338
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1
InChIInChI=1S/C18H16F2N4O/c19-13-4-3-12(16(20)8-13)11-24-7-1-2-17(18(24)25)23-15-6-5-14(9-21)22-10-15/h3-6,8,10,17,23H,1-2,7,11H2/t17-/m1/s1
InChIKeyPJDBZNALZDVEGL-QGZVFWFLSA-N
XLogP2.83
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile (CID 125138338) is 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1.
What is the InChIKey of 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is PJDBZNALZDVEGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-13-4-3-12(16(20)8-13)11-24-7-1-2-17(18(24)25)23-15-6-5-14(9-21)22-10-15/h3-6,8,10,17,23H,1-2,7,11H2/t17-/m1/s1.
What are the key properties of 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile?
5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 342.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 125138338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).