2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile

C24H25N5O — CID 11372959

IUPAC2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile
SMILESCc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1-c1ccccc1
InChIInChI=1S/C24H25N5O/c1-17-22(18-8-3-2-4-9-18)23(30)29(15-20-11-6-5-10-19(20)14-25)24(27-17)28-13-7-12-21(26)16-28/h2-6,8-11,21H,7,12-13,15-16,26H2,1H3/t21-/m1/s1
InChIKeyJPPOUTPIWIFHEQ-OAQYLSRUSA-N
MW399.50 g/mol
LogP3.07
Rot. Bonds4

About 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile

2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile (PubChem CID 11372959) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile
PubChem CID11372959
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile
SMILESCc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1-c1ccccc1
InChIInChI=1S/C24H25N5O/c1-17-22(18-8-3-2-4-9-18)23(30)29(15-20-11-6-5-10-19(20)14-25)24(27-17)28-13-7-12-21(26)16-28/h2-6,8-11,21H,7,12-13,15-16,26H2,1H3/t21-/m1/s1
InChIKeyJPPOUTPIWIFHEQ-OAQYLSRUSA-N
XLogP3.07
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile 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 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile (CID 11372959) is 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile is Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile?
The InChIKey is JPPOUTPIWIFHEQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-22(18-8-3-2-4-9-18)23(30)29(15-20-11-6-5-10-19(20)14-25)24(27-17)28-13-7-12-21(26)16-28/h2-6,8-11,21H,7,12-13,15-16,26H2,1H3/t21-/m1/s1.
What are the key properties of 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile?
2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile has a molecular weight of 399.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-phenylpyrimidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 11372959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).