2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one

C14H21N3O2 — CID 81312958

IUPAC2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(CC(CN)C(=O)N2CCOCC2)nc1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-13(16-10-11)8-12(9-15)14(18)17-4-6-19-7-5-17/h2-3,10,12H,4-9,15H2,1H3
InChIKeyQAOBIKVIMZNTFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.37
Rot. Bonds4

About 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one

2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 81312958) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one
PubChem CID81312958
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(CC(CN)C(=O)N2CCOCC2)nc1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-13(16-10-11)8-12(9-15)14(18)17-4-6-19-7-5-17/h2-3,10,12H,4-9,15H2,1H3
InChIKeyQAOBIKVIMZNTFO-UHFFFAOYSA-N
XLogP0.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
CID 62081726
2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 114553858
2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
CID 81312245
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
CID 79971868
2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 62082064
3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111093042
4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
CID 81320292
[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81203805
2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one (CID 81312958) is 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one is Cc1ccc(CC(CN)C(=O)N2CCOCC2)nc1.
What is the InChIKey of 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is QAOBIKVIMZNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-2-3-13(16-10-11)8-12(9-15)14(18)17-4-6-19-7-5-17/h2-3,10,12H,4-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one?
2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 81312958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).