3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one

C11H17N3O2 — CID 82991375

IUPAC3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
SMILESCN1CCOC(Cn2ccc(=O)c(N)c2)C1
InChIInChI=1S/C11H17N3O2/c1-13-4-5-16-9(6-13)7-14-3-2-11(15)10(12)8-14/h2-3,8-9H,4-7,12H2,1H3
InChIKeyVXHUUMZMUYXQBP-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.24
Rot. Bonds2

About 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one

3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one (PubChem CID 82991375) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
PubChem CID82991375
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
SMILESCN1CCOC(Cn2ccc(=O)c(N)c2)C1
InChIInChI=1S/C11H17N3O2/c1-13-4-5-16-9(6-13)7-14-3-2-11(15)10(12)8-14/h2-3,8-9H,4-7,12H2,1H3
InChIKeyVXHUUMZMUYXQBP-UHFFFAOYSA-N
XLogP-0.24
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-Dimethylmorpholin-4-yl)but-3-en-2-one
CID 173595973
3-morpholin-4-yl-1H-pyridin-4-one
CID 177903604
5-amino-2-[(2S)-2-methylmorpholin-4-yl]-1H-pyridin-4-one
CID 178121732
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one
CID 178122451
5-amino-2-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-4-one
CID 178122693
1-(3-Amino-2-ethoxypropyl)pyridin-4-one
CID 63072356
1-(Morpholin-2-ylmethyl)pyridin-4-one
CID 64533652
3-Amino-1-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-one
CID 82989432
3-Amino-1-(2-ethoxyethyl)-1,4-dihydropyridin-4-one
CID 82990001
3-Amino-1-[2-(2-methoxyethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82990005
3-Amino-1-(2-morpholin-4-ylethyl)pyridin-4-one
CID 82990585
3-Amino-1-(2-butoxyethyl)-1,4-dihydropyridin-4-one
CID 82991382

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one (CID 82991375) is 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one is CN1CCOC(Cn2ccc(=O)c(N)c2)C1.
What is the InChIKey of 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The InChIKey is VXHUUMZMUYXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-4-5-16-9(6-13)7-14-3-2-11(15)10(12)8-14/h2-3,8-9H,4-7,12H2,1H3.
What are the key properties of 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one has a molecular weight of 223.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82991375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).