2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one

C12H18N2O2 — CID 103549618

IUPAC2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1COCCN1
InChIInChI=1S/C12H18N2O2/c1-9-5-12(15)6-10(2)14(9)7-11-8-16-4-3-13-11/h5-6,11,13H,3-4,7-8H2,1-2H3
InChIKeyMHIFTPJDIJBBAG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.45
Rot. Bonds2

About 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one

2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one (PubChem CID 103549618) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one
PubChem CID103549618
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1COCCN1
InChIInChI=1S/C12H18N2O2/c1-9-5-12(15)6-10(2)14(9)7-11-8-16-4-3-13-11/h5-6,11,13H,3-4,7-8H2,1-2H3
InChIKeyMHIFTPJDIJBBAG-UHFFFAOYSA-N
XLogP0.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(4-morpholinylmethyl)-4(1H)-pyridinone
CID 29888538
2,3-Dimethyl-5-(2-morpholin-4-ylethylamino)cyclohexa-2,5-diene-1,4-dione
CID 176453789
6-Oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one
CID 129165001
2-methyl-6-(4-propan-2-ylmorpholin-2-yl)-1H-pyridin-4-one
CID 73439473
2,6-Dimethyl-1-(2-piperidin-4-yloxyethyl)pyridin-4-one
CID 79884499
2,6-Dimethyl-1-(3-piperidin-4-yloxypropyl)pyridin-4-one
CID 79884588
1-(2-Amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one
CID 79885682
1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one
CID 79885785
1-[2-(2-Methoxyethylamino)ethyl]-2,6-dimethylpyridin-4-one
CID 83031023
2-methyl-6-[(2S)-4-propan-2-ylmorpholin-2-yl]-1H-pyridin-4-one
CID 95817237
2-methyl-6-[(2R)-4-propan-2-ylmorpholin-2-yl]-1H-pyridin-4-one
CID 95817238
2-(morpholin-4-ylmethyl)-1H-pyridin-4-one
CID 101041932

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one (CID 103549618) is 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one is Cc1cc(=O)cc(C)n1CC1COCCN1.
What is the InChIKey of 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one?
The InChIKey is MHIFTPJDIJBBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-12(15)6-10(2)14(9)7-11-8-16-4-3-13-11/h5-6,11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one?
2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(morpholin-3-ylmethyl)pyridin-4-one is sourced from PubChem (CID 103549618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).