5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

C25H32N4O3 — CID 71119143

IUPAC5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C(C)C)c(-c3cccc(OC)c3)cc2C#N)CC1C
InChIInChI=1S/C25H32N4O3/c1-17(2)24-22(19-7-6-8-21(13-19)32-5)14-20(15-26)25(27-24)28-10-11-29(18(3)16-28)23(30)9-12-31-4/h6-8,13-14,17-18H,9-12,16H2,1-5H3
InChIKeyZLGQLQQBDUMLBO-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.83
Rot. Bonds7

About 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 71119143) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID71119143
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C(C)C)c(-c3cccc(OC)c3)cc2C#N)CC1C
InChIInChI=1S/C25H32N4O3/c1-17(2)24-22(19-7-6-8-21(13-19)32-5)14-20(15-26)25(27-24)28-10-11-29(18(3)16-28)23(30)9-12-31-4/h6-8,13-14,17-18H,9-12,16H2,1-5H3
InChIKeyZLGQLQQBDUMLBO-UHFFFAOYSA-N
XLogP3.83
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 71118547
2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-phenylmethoxy-6-propan-2-ylpyridine-3-carbonitrile
CID 71119102
6-cyclopropyl-5-(3-ethylphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 135292165
5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 86728501
6-cyclopropyl-5-[3-(2-hydroxyethyl)phenyl]-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71119520
5-(4-ethylphenyl)-2-[4-(3-methoxy-2-oxopropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 135285053
6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[3-(5-methylidene-2H-pyrrol-1-yl)phenyl]pyridine-3-carbonitrile
CID 135292159
4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]benzamide
CID 71119558
2-[3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-5-(3-methylphenyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 71118558
formonitrile;1-[4-[5-(3-methoxyphenyl)-3-(1-methylpyrrolidin-2-yl)-6-propan-2-yl-2-pyridinyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 174668963
6-cyclopropyl-5-(1-methoxyisoquinolin-5-yl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71119399
N-[4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 90301565

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 71119143) is 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is COCCC(=O)N1CCN(c2nc(C(C)C)c(-c3cccc(OC)c3)cc2C#N)CC1C.
What is the InChIKey of 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is ZLGQLQQBDUMLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)24-22(19-7-6-8-21(13-19)32-5)14-20(15-26)25(27-24)28-10-11-29(18(3)16-28)23(30)9-12-31-4/h6-8,13-14,17-18H,9-12,16H2,1-5H3.
What are the key properties of 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 436.56 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 71119143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).