1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione

C14H18N2O3 — CID 110631390

IUPAC1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
SMILESCC1CN(C(=O)CCC(=O)c2cccnc2)CCO1
InChIInChI=1S/C14H18N2O3/c1-11-10-16(7-8-19-11)14(18)5-4-13(17)12-3-2-6-15-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3
InChIKeyAKWDIQHUEAMKES-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione

1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione (PubChem CID 110631390) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
PubChem CID110631390
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
SMILESCC1CN(C(=O)CCC(=O)c2cccnc2)CCO1
InChIInChI=1S/C14H18N2O3/c1-11-10-16(7-8-19-11)14(18)5-4-13(17)12-3-2-6-15-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3
InChIKeyAKWDIQHUEAMKES-UHFFFAOYSA-N
XLogP1.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione 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

1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110309987
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
1-[3-(hydroxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110633263
1-[4-(3-methylbenzoyl)piperazin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110632670
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
CID 110614432
1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110631362
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione (CID 110631390) is 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione is CC1CN(C(=O)CCC(=O)c2cccnc2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione?
The InChIKey is AKWDIQHUEAMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11-10-16(7-8-19-11)14(18)5-4-13(17)12-3-2-6-15-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione?
1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione has a molecular weight of 262.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione is sourced from PubChem (CID 110631390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).