2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide

C11H17N3O2 — CID 103938368

IUPAC2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
SMILESCC[C@@H](O)c1ccc(N(C)CC(N)=O)cn1
InChIInChI=1S/C11H17N3O2/c1-3-10(15)9-5-4-8(6-13-9)14(2)7-11(12)16/h4-6,10,15H,3,7H2,1-2H3,(H2,12,16)/t10-/m1/s1
InChIKeyWXXBAIIIDZYABR-SNVBAGLBSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds5

About 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide

2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide (PubChem CID 103938368) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
PubChem CID103938368
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
SMILESCC[C@@H](O)c1ccc(N(C)CC(N)=O)cn1
InChIInChI=1S/C11H17N3O2/c1-3-10(15)9-5-4-8(6-13-9)14(2)7-11(12)16/h4-6,10,15H,3,7H2,1-2H3,(H2,12,16)/t10-/m1/s1
InChIKeyWXXBAIIIDZYABR-SNVBAGLBSA-N
XLogP0.45
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025
(1R)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938329
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 115940380
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
(1R)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938832
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938697
3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 112585464
N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
CID 83132737
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide?
The IUPAC name of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide (CID 103938368) is 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide?
The canonical SMILES for 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide is CC[C@@H](O)c1ccc(N(C)CC(N)=O)cn1.
What is the InChIKey of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide?
The InChIKey is WXXBAIIIDZYABR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-10(15)9-5-4-8(6-13-9)14(2)7-11(12)16/h4-6,10,15H,3,7H2,1-2H3,(H2,12,16)/t10-/m1/s1.
What are the key properties of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide?
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 103938368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).