6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile

C16H15N5O2 — CID 139022978

IUPAC6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(N2CCN(c3ccc(C#N)cn3)CC2=O)ccn1
InChIInChI=1S/C16H15N5O2/c1-23-15-8-13(4-5-18-15)21-7-6-20(11-16(21)22)14-3-2-12(9-17)10-19-14/h2-5,8,10H,6-7,11H2,1H3
InChIKeyAHOLGDPEXOATPB-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.21
Rot. Bonds3

About 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile

6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 139022978) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID139022978
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(N2CCN(c3ccc(C#N)cn3)CC2=O)ccn1
InChIInChI=1S/C16H15N5O2/c1-23-15-8-13(4-5-18-15)21-7-6-20(11-16(21)22)14-3-2-12(9-17)10-19-14/h2-5,8,10H,6-7,11H2,1H3
InChIKeyAHOLGDPEXOATPB-UHFFFAOYSA-N
XLogP1.21
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-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

1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 155974492
4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 163343878
4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139022999
4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023028
1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
CID 155974357
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345651
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
1-(2-methoxy-4-pyridinyl)-4-(3-phenylprop-2-enyl)piperazin-2-one
CID 171145881

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile (CID 139022978) is 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile is COc1cc(N2CCN(c3ccc(C#N)cn3)CC2=O)ccn1.
What is the InChIKey of 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is AHOLGDPEXOATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-15-8-13(4-5-18-15)21-7-6-20(11-16(21)22)14-3-2-12(9-17)10-19-14/h2-5,8,10H,6-7,11H2,1H3.
What are the key properties of 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 139022978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).