5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

C19H20N4O — CID 2769090

IUPAC5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1C
InChIInChI=1S/C19H20N4O/c1-14-18(15(2)24)12-16(13-20)19(21-14)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11H2,1-2H3
InChIKeyOTNVPOXWTBBLNA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.79
Rot. Bonds3

About 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 2769090) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID2769090
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1C
InChIInChI=1S/C19H20N4O/c1-14-18(15(2)24)12-16(13-20)19(21-14)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11H2,1-2H3
InChIKeyOTNVPOXWTBBLNA-UHFFFAOYSA-N
XLogP2.79
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (CID 2769090) is 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1C.
What is the InChIKey of 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is OTNVPOXWTBBLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-18(15(2)24)12-16(13-20)19(21-14)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 2769090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).