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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
Ethyl 1-(3-cyano-4,6-dimethylpyridin-2-yl)piperidine-4-carboxylate
CID 1474731
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
2,2-dimethyl-N-(6-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24956409
2-((6-Methyl-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
CID 90024952
2-[[6-Ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 117953096
4-(Methoxymethyl)-6-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]nicotinonitrile
CID 1510629
2-[3-(Diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
CID 5295326
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-(1-piperidinyl)-
CID 660777
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-(4-morpholinyl)-
CID 660957
1-Ethyl-3-{[2-(morpholin-4-yl)ethyl]amino}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658818

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).