4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

C18H21N7O — CID 163345910

IUPAC4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccn1
InChIInChI=1S/C18H21N7O/c19-13-15-11-16(1-2-20-15)23-3-5-24(6-4-23)17-12-18(22-14-21-17)25-7-9-26-10-8-25/h1-2,11-12,14H,3-10H2
InChIKeyLBJQMQJANOAEDF-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.91
Rot. Bonds3

About 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 163345910) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID163345910
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccn1
InChIInChI=1S/C18H21N7O/c19-13-15-11-16(1-2-20-15)23-3-5-24(6-4-23)17-12-18(22-14-21-17)25-7-9-26-10-8-25/h1-2,11-12,14H,3-10H2
InChIKeyLBJQMQJANOAEDF-UHFFFAOYSA-N
XLogP0.91
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345651
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163345548
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163346338
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163346364
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 163345910) is 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccn1.
What is the InChIKey of 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is LBJQMQJANOAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c19-13-15-11-16(1-2-20-15)23-3-5-24(6-4-23)17-12-18(22-14-21-17)25-7-9-26-10-8-25/h1-2,11-12,14H,3-10H2.
What are the key properties of 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163345910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).