2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile

C17H24N4O — CID 154757689

IUPAC2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCN(CC3CCOCC3)CC2)n1
InChIInChI=1S/C17H24N4O/c1-14-10-16(12-18)11-17(19-14)21-6-4-20(5-7-21)13-15-2-8-22-9-3-15/h10-11,15H,2-9,13H2,1H3
InChIKeyQUWHOUZGOISBSK-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile

2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 154757689) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID154757689
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCN(CC3CCOCC3)CC2)n1
InChIInChI=1S/C17H24N4O/c1-14-10-16(12-18)11-17(19-14)21-6-4-20(5-7-21)13-15-2-8-22-9-3-15/h10-11,15H,2-9,13H2,1H3
InChIKeyQUWHOUZGOISBSK-UHFFFAOYSA-N
XLogP1.81
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
CID 114768261
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766208
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 154757689) is 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCN(CC3CCOCC3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is QUWHOUZGOISBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-10-16(12-18)11-17(19-14)21-6-4-20(5-7-21)13-15-2-8-22-9-3-15/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 154757689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).