1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one

C12H19N3O2 — CID 123848862

IUPAC1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)c1ccc(CC(N)CO)nc1
InChIInChI=1S/C12H19N3O2/c1-9(17)7-15(2)12-4-3-11(14-6-12)5-10(13)8-16/h3-4,6,10,16H,5,7-8,13H2,1-2H3
InChIKeyMDDYPMSCHAOPQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.03
Rot. Bonds6

About 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one

1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one (PubChem CID 123848862) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one
PubChem CID123848862
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)c1ccc(CC(N)CO)nc1
InChIInChI=1S/C12H19N3O2/c1-9(17)7-15(2)12-4-3-11(14-6-12)5-10(13)8-16/h3-4,6,10,16H,5,7-8,13H2,1-2H3
InChIKeyMDDYPMSCHAOPQX-UHFFFAOYSA-N
XLogP-0.03
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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 ≤ 105

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Related Compounds

2-amino-3-[5-[2,3-dioxobutyl(methyl)amino]-2-pyridinyl]propanoic acid
CID 70899365
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368
6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613
1-(4-hydroxy-N-methylanilino)propan-2-one
CID 12814770
(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
CID 97304087
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881
[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid
CID 134555838
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one?
The IUPAC name of 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one (CID 123848862) is 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one.
What is the SMILES notation for 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one?
The canonical SMILES for 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one is CC(=O)CN(C)c1ccc(CC(N)CO)nc1.
What is the InChIKey of 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one?
The InChIKey is MDDYPMSCHAOPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(17)7-15(2)12-4-3-11(14-6-12)5-10(13)8-16/h3-4,6,10,16H,5,7-8,13H2,1-2H3.
What are the key properties of 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one?
1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one has a molecular weight of 237.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one is sourced from PubChem (CID 123848862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).