2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide

C12H19N3O3 — CID 107338519

IUPAC2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H19N3O3/c1-15(7-11(16)8-18-2)12(17)5-10-4-3-9(13)6-14-10/h3-4,6,11,16H,5,7-8,13H2,1-2H3
InChIKeyMNDIHZOVLNLXIG-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.33
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide

2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide (PubChem CID 107338519) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
PubChem CID107338519
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H19N3O3/c1-15(7-11(16)8-18-2)12(17)5-10-4-3-9(13)6-14-10/h3-4,6,11,16H,5,7-8,13H2,1-2H3
InChIKeyMNDIHZOVLNLXIG-UHFFFAOYSA-N
XLogP-0.33
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 107338553
2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
CID 107339694
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120617349
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-oxoethyl]benzoic acid
CID 104601486
2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 107339531
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
CID 158610916

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide (CID 107338519) is 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide is COCC(O)CN(C)C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The InChIKey is MNDIHZOVLNLXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(7-11(16)8-18-2)12(17)5-10-4-3-9(13)6-14-10/h3-4,6,11,16H,5,7-8,13H2,1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide has a molecular weight of 253.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 107338519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).