2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

C14H14N6O — CID 171327180

IUPAC2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C14H14N6O/c15-9-11-2-1-3-16-14(11)20-6-4-19(5-7-20)12-8-13(21)18-10-17-12/h1-3,8,10H,4-7H2,(H,17,18,21)
InChIKeyQUVUPPUBXAAOBN-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.36
Rot. Bonds2

About 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 171327180) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID171327180
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C14H14N6O/c15-9-11-2-1-3-16-14(11)20-6-4-19(5-7-20)12-8-13(21)18-10-17-12/h1-3,8,10H,4-7H2,(H,17,18,21)
InChIKeyQUVUPPUBXAAOBN-UHFFFAOYSA-N
XLogP0.36
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]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

4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979374
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139028630
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 15124573
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 118788052
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile
CID 59332863
2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70707308
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 171327180) is 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QUVUPPUBXAAOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-9-11-2-1-3-16-14(11)20-6-4-19(5-7-20)12-8-13(21)18-10-17-12/h1-3,8,10H,4-7H2,(H,17,18,21).
What are the key properties of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171327180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).