4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile

C15H21N3O2 — CID 50888511

IUPAC4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCCN2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C15H21N3O2/c1-12-10-13(2)18(15(19)14(12)11-16)5-3-4-17-6-8-20-9-7-17/h10H,3-9H2,1-2H3
InChIKeyKKPZECRBUXAUJY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.06
Rot. Bonds4

About 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 50888511) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile
PubChem CID50888511
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCCN2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C15H21N3O2/c1-12-10-13(2)18(15(19)14(12)11-16)5-3-4-17-6-8-20-9-7-17/h10H,3-9H2,1-2H3
InChIKeyKKPZECRBUXAUJY-UHFFFAOYSA-N
XLogP1.06
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 647740
Ethyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
CID 12295333
4-(Methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile
CID 5306783
2-(3-Cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate
CID 11195670
1-(2-Azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 11311192
1,6-Dimethyl-4-(morpholine-4-carbonyl)pyridin-2-one
CID 20668742
(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile
CID 58814473
6-Methyl-4-(morpholinomethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 67466398
3-(aminomethyl)-6-methyl-4-(4-morpholinylmethyl)-2(1H)-pyridinone
CID 67467054
6-Hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile
CID 91089130
2-[2,6-Dimethyl-1-[2-[2-(2-oxo-1-pyridinyl)ethoxy]ethyl]-4-pyridinylidene]propanedinitrile
CID 141229004
1-Methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
CID 141316176

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile (CID 50888511) is 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(CCCN2CCOCC2)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is KKPZECRBUXAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-10-13(2)18(15(19)14(12)11-16)5-3-4-17-6-8-20-9-7-17/h10H,3-9H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 275.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(3-morpholin-4-ylpropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 50888511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).