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

C15H22N4O — CID 162638269

IUPAC2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
SMILESCc1cc(NCCCN2CCOCC2)nc(C)c1C#N
InChIInChI=1S/C15H22N4O/c1-12-10-15(18-13(2)14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyMJZHKZPIDMWHAL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.70
Rot. Bonds5

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

2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile (PubChem CID 162638269) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
PubChem CID162638269
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
SMILESCc1cc(NCCCN2CCOCC2)nc(C)c1C#N
InChIInChI=1S/C15H22N4O/c1-12-10-15(18-13(2)14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyMJZHKZPIDMWHAL-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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Related Compounds

6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 20997604
CID 162381502
CID 162381502
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile (CID 162638269) is 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile is Cc1cc(NCCCN2CCOCC2)nc(C)c1C#N.
What is the InChIKey of 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The InChIKey is MJZHKZPIDMWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-10-15(18-13(2)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 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
2,4-dimethyl-6-(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 2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 162638269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).