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

C19H22N4O — CID 828953

IUPAC4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C19H22N4O/c1-15-12-16(14-24-2)18(13-20)19(21-15)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3
InChIKeySGSDAYHACHGJRA-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.73
Rot. Bonds4

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

4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 828953) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID828953
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C19H22N4O/c1-15-12-16(14-24-2)18(13-20)19(21-15)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3
InChIKeySGSDAYHACHGJRA-UHFFFAOYSA-N
XLogP2.73
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (CID 828953) is 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is COCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is SGSDAYHACHGJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-12-16(14-24-2)18(13-20)19(21-15)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 828953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).