5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile

C12H16N4O — CID 61429731

IUPAC5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCC1(C)COCCN1c1ncc(N)cc1C#N
InChIInChI=1S/C12H16N4O/c1-12(2)8-17-4-3-16(12)11-9(6-13)5-10(14)7-15-11/h5,7H,3-4,8,14H2,1-2H3
InChIKeyNFFDFGAVAFDRBD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds1

About 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile

5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 61429731) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID61429731
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCC1(C)COCCN1c1ncc(N)cc1C#N
InChIInChI=1S/C12H16N4O/c1-12(2)8-17-4-3-16(12)11-9(6-13)5-10(14)7-15-11/h5,7H,3-4,8,14H2,1-2H3
InChIKeyNFFDFGAVAFDRBD-UHFFFAOYSA-N
XLogP1.15
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile (CID 61429731) is 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile is CC1(C)COCCN1c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is NFFDFGAVAFDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2)8-17-4-3-16(12)11-9(6-13)5-10(14)7-15-11/h5,7H,3-4,8,14H2,1-2H3.
What are the key properties of 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile?
5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 61429731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).