6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

C16H20N6 — CID 119110743

IUPAC6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1cncc1CNC1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H20N6/c1-21-12-18-10-15(21)11-19-14-4-6-22(7-5-14)16-3-2-13(8-17)9-20-16/h2-3,9-10,12,14,19H,4-7,11H2,1H3
InChIKeyANSLOAQOTDFPJX-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.45
Rot. Bonds4

About 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 119110743) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID119110743
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCn1cncc1CNC1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H20N6/c1-21-12-18-10-15(21)11-19-14-4-6-22(7-5-14)16-3-2-13(8-17)9-20-16/h2-3,9-10,12,14,19H,4-7,11H2,1H3
InChIKeyANSLOAQOTDFPJX-UHFFFAOYSA-N
XLogP1.45
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 119110743) is 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is Cn1cncc1CNC1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ANSLOAQOTDFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-21-12-18-10-15(21)11-19-14-4-6-22(7-5-14)16-3-2-13(8-17)9-20-16/h2-3,9-10,12,14,19H,4-7,11H2,1H3.
What are the key properties of 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 296.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 119110743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).