4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

C17H18N4O — CID 1470924

IUPAC4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCOc1ccnc(N2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C17H18N4O/c1-22-16-7-8-19-17(15(16)13-18)21-11-9-20(10-12-21)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyCVDPZJYJZIAFSJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.29
Rot. Bonds3

About 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 1470924) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID1470924
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCOc1ccnc(N2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C17H18N4O/c1-22-16-7-8-19-17(15(16)13-18)21-11-9-20(10-12-21)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyCVDPZJYJZIAFSJ-UHFFFAOYSA-N
XLogP2.29
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (CID 1470924) is 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is COc1ccnc(N2CCN(c3ccccc3)CC2)c1C#N.
What is the InChIKey of 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is CVDPZJYJZIAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-16-7-8-19-17(15(16)13-18)21-11-9-20(10-12-21)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3.
What are the key properties of 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 1470924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).