methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate

C16H19N3O2 — CID 175085515

IUPACmethyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate
SMILESCOC(=O)CC(N)c1cncc(-c2c(C)cncc2C)c1
InChIInChI=1S/C16H19N3O2/c1-10-6-18-7-11(2)16(10)13-4-12(8-19-9-13)14(17)5-15(20)21-3/h4,6-9,14H,5,17H2,1-3H3
InChIKeyAFWNSAIFQRAGAJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds4

About methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate

methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate (PubChem CID 175085515) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate
PubChem CID175085515
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate
SMILESCOC(=O)CC(N)c1cncc(-c2c(C)cncc2C)c1
InChIInChI=1S/C16H19N3O2/c1-10-6-18-7-11(2)16(10)13-4-12(8-19-9-13)14(17)5-15(20)21-3/h4,6-9,14H,5,17H2,1-3H3
InChIKeyAFWNSAIFQRAGAJ-UHFFFAOYSA-N
XLogP2.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate 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

benzyl (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;ethane
CID 153352746
(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 139580030
methyl 3-amino-3-pyrimidin-5-ylpropanoate
CID 162342005
methyl (3S)-3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate;methyl (3S)-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 159749795
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
CID 143365947
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl (3S)-3-amino-3-(3-bromo-4-methylphenyl)propanoate
CID 103694355
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
CID 165494271
methyl (3S)-3-amino-3-(3,5-dibromophenyl)propanoate;hydrochloride
CID 171244280

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate?
The IUPAC name of methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate (CID 175085515) is methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate?
The canonical SMILES for methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate is COC(=O)CC(N)c1cncc(-c2c(C)cncc2C)c1.
What is the InChIKey of methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate?
The InChIKey is AFWNSAIFQRAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-6-18-7-11(2)16(10)13-4-12(8-19-9-13)14(17)5-15(20)21-3/h4,6-9,14H,5,17H2,1-3H3.
What are the key properties of methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate?
methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate has a molecular weight of 285.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate is sourced from PubChem (CID 175085515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).