2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile

C19H22N4O2 — CID 56717983

IUPAC2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile
SMILESCOc1nccc(Oc2ccccc2CN2CCN(C)CC2)c1C#N
InChIInChI=1S/C19H22N4O2/c1-22-9-11-23(12-10-22)14-15-5-3-4-6-17(15)25-18-7-8-21-19(24-2)16(18)13-20/h3-8H,9-12,14H2,1-2H3
InChIKeyXVXFUKSQWLMPLA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.50
Rot. Bonds5

About 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile

2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 56717983) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile
PubChem CID56717983
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile
SMILESCOc1nccc(Oc2ccccc2CN2CCN(C)CC2)c1C#N
InChIInChI=1S/C19H22N4O2/c1-22-9-11-23(12-10-22)14-15-5-3-4-6-17(15)25-18-7-8-21-19(24-2)16(18)13-20/h3-8H,9-12,14H2,1-2H3
InChIKeyXVXFUKSQWLMPLA-UHFFFAOYSA-N
XLogP2.50
TPSA61.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
CID 56713052
1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine
CID 56720123
5-chloro-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]benzonitrile
CID 133286179
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
CID 56707715
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile (CID 56717983) is 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile is COc1nccc(Oc2ccccc2CN2CCN(C)CC2)c1C#N.
What is the InChIKey of 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is XVXFUKSQWLMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-9-11-23(12-10-22)14-15-5-3-4-6-17(15)25-18-7-8-21-19(24-2)16(18)13-20/h3-8H,9-12,14H2,1-2H3.
What are the key properties of 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile?
2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 56717983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).