6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile

C19H18N6O2 — CID 175956763

IUPAC6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1c(=O)c(=O)n(C2CCN(c3ccc(C#N)cn3)CC2)c2ncccc21
InChIInChI=1S/C19H18N6O2/c1-23-15-3-2-8-21-17(15)25(19(27)18(23)26)14-6-9-24(10-7-14)16-5-4-13(11-20)12-22-16/h2-5,8,12,14H,6-7,9-10H2,1H3
InChIKeyUSEZYFNSYFWZDB-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.20
Rot. Bonds2

About 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 175956763) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID175956763
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1c(=O)c(=O)n(C2CCN(c3ccc(C#N)cn3)CC2)c2ncccc21
InChIInChI=1S/C19H18N6O2/c1-23-15-3-2-8-21-17(15)25(19(27)18(23)26)14-6-9-24(10-7-14)16-5-4-13(11-20)12-22-16/h2-5,8,12,14H,6-7,9-10H2,1H3
InChIKeyUSEZYFNSYFWZDB-UHFFFAOYSA-N
XLogP1.20
TPSA96.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-methoxy-6-[4-(4-methyl-2,3-dioxoquinoxalin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 170358733
6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343768
2-[4-(6-acetyl-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 170600673
6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
CID 170600711
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
4-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methylamino]benzonitrile
CID 170344626
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 175956763) is 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cn1c(=O)c(=O)n(C2CCN(c3ccc(C#N)cn3)CC2)c2ncccc21.
What is the InChIKey of 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is USEZYFNSYFWZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-23-15-3-2-8-21-17(15)25(19(27)18(23)26)14-6-9-24(10-7-14)16-5-4-13(11-20)12-22-16/h2-5,8,12,14H,6-7,9-10H2,1H3.
What are the key properties of 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 175956763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).