3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one

C10H14N2O3 — CID 79492824

IUPAC3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
SMILESCOC(OC)C(=O)Cc1ccnc(N)c1
InChIInChI=1S/C10H14N2O3/c1-14-10(15-2)8(13)5-7-3-4-12-9(11)6-7/h3-4,6,10H,5H2,1-2H3,(H2,11,12)
InChIKeyVSZTVZOYMKIMJP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.39
Rot. Bonds5

About 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one

3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one (PubChem CID 79492824) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one.

Molecular Properties

Compound Name3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
PubChem CID79492824
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
SMILESCOC(OC)C(=O)Cc1ccnc(N)c1
InChIInChI=1S/C10H14N2O3/c1-14-10(15-2)8(13)5-7-3-4-12-9(11)6-7/h3-4,6,10H,5H2,1-2H3,(H2,11,12)
InChIKeyVSZTVZOYMKIMJP-UHFFFAOYSA-N
XLogP0.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
CID 116554635
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
CID 116555905
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116602379
(2-amino-4-pyridinyl)methyl propanoate
CID 166101515
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine
CID 171796381
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
CID 116562828
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one?
The IUPAC name of 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one (CID 79492824) is 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one.
What is the SMILES notation for 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one?
The canonical SMILES for 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one is COC(OC)C(=O)Cc1ccnc(N)c1.
What is the InChIKey of 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one?
The InChIKey is VSZTVZOYMKIMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-10(15-2)8(13)5-7-3-4-12-9(11)6-7/h3-4,6,10H,5H2,1-2H3,(H2,11,12).
What are the key properties of 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one?
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one has a molecular weight of 210.23 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one is sourced from PubChem (CID 79492824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).