3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile

C16H24N4O — CID 136531393

IUPAC3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
SMILESCC1CN(CCCCNc2cccnc2C#N)CC(C)O1
InChIInChI=1S/C16H24N4O/c1-13-11-20(12-14(2)21-13)9-4-3-7-18-15-6-5-8-19-16(15)10-17/h5-6,8,13-14,18H,3-4,7,9,11-12H2,1-2H3
InChIKeyZDTYUQPJPBPMSI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.25
Rot. Bonds6

About 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile

3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile (PubChem CID 136531393) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
PubChem CID136531393
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
SMILESCC1CN(CCCCNc2cccnc2C#N)CC(C)O1
InChIInChI=1S/C16H24N4O/c1-13-11-20(12-14(2)21-13)9-4-3-7-18-15-6-5-8-19-16(15)10-17/h5-6,8,13-14,18H,3-4,7,9,11-12H2,1-2H3
InChIKeyZDTYUQPJPBPMSI-UHFFFAOYSA-N
XLogP2.25
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile (CID 136531393) is 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile is CC1CN(CCCCNc2cccnc2C#N)CC(C)O1.
What is the InChIKey of 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile?
The InChIKey is ZDTYUQPJPBPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-11-20(12-14(2)21-13)9-4-3-7-18-15-6-5-8-19-16(15)10-17/h5-6,8,13-14,18H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile?
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 136531393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).