6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C16H16N6O2 — CID 170219780

IUPAC6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccnc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C16H16N6O2/c1-24-14-4-5-18-15(20-14)16(23)22-8-6-21(7-9-22)13-3-2-12(10-17)11-19-13/h2-5,11H,6-9H2,1H3
InChIKeyYXUFLXDVFHCHDT-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.71
Rot. Bonds3

About 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 170219780) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID170219780
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccnc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C16H16N6O2/c1-24-14-4-5-18-15(20-14)16(23)22-8-6-21(7-9-22)13-3-2-12(10-17)11-19-13/h2-5,11H,6-9H2,1H3
InChIKeyYXUFLXDVFHCHDT-UHFFFAOYSA-N
XLogP0.71
TPSA95.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 170219780) is 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is COc1ccnc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YXUFLXDVFHCHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-14-4-5-18-15(20-14)16(23)22-8-6-21(7-9-22)13-3-2-12(10-17)11-19-13/h2-5,11H,6-9H2,1H3.
What are the key properties of 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxypyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 170219780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).