1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one

C9H12N2O2 — CID 55295483

IUPAC1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ncccc1C(N)C(C)=O
InChIInChI=1S/C9H12N2O2/c1-6(12)8(10)7-4-3-5-11-9(7)13-2/h3-5,8H,10H2,1-2H3
InChIKeyNGLFUTZBXQEXMM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.68
Rot. Bonds3

About 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one

1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one (PubChem CID 55295483) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
PubChem CID55295483
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ncccc1C(N)C(C)=O
InChIInChI=1S/C9H12N2O2/c1-6(12)8(10)7-4-3-5-11-9(7)13-2/h3-5,8H,10H2,1-2H3
InChIKeyNGLFUTZBXQEXMM-UHFFFAOYSA-N
XLogP0.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 131218927
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
[1-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-2-oxoethyl] acetate
CID 13052057
1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110251
(2-methoxy-3-pyridinyl)-(2-methylphenyl)methanamine
CID 105094474
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
CID 171895384
3-butan-2-yl-2-methoxypyridine
CID 130368185
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one (CID 55295483) is 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one is COc1ncccc1C(N)C(C)=O.
What is the InChIKey of 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one?
The InChIKey is NGLFUTZBXQEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)8(10)7-4-3-5-11-9(7)13-2/h3-5,8H,10H2,1-2H3.
What are the key properties of 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one?
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 55295483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).