4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile

C15H22N4O — CID 2013066

IUPAC4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyIFGDZGMJCVOVLP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.70
Rot. Bonds5

About 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile

4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile (PubChem CID 2013066) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
PubChem CID2013066
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyIFGDZGMJCVOVLP-UHFFFAOYSA-N
XLogP1.70
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.70
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 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile (CID 2013066) is 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The InChIKey is IFGDZGMJCVOVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 2013066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).