3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

C12H19N3O2 — CID 67467054

IUPAC3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCc1cc(CN2CCOCC2)c(CN)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-6-10(11(7-13)12(16)14-9)8-15-2-4-17-5-3-15/h6H,2-5,7-8,13H2,1H3,(H,14,16)
InChIKeyIUCYQKYGTQFOLP-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.03
Rot. Bonds3

About 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 67467054) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID67467054
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCc1cc(CN2CCOCC2)c(CN)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-6-10(11(7-13)12(16)14-9)8-15-2-4-17-5-3-15/h6H,2-5,7-8,13H2,1H3,(H,14,16)
InChIKeyIUCYQKYGTQFOLP-UHFFFAOYSA-N
XLogP-0.03
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 67467054) is 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is Cc1cc(CN2CCOCC2)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is IUCYQKYGTQFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-10(11(7-13)12(16)14-9)8-15-2-4-17-5-3-15/h6H,2-5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 237.30 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 67467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).