methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate

C20H24N2O3 — CID 159826896

IUPACmethyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate
SMILESC=CC[C@H](C)c1cc(-c2ccc(CC(=O)OC)cc2N)cc(OC)n1
InChIInChI=1S/C20H24N2O3/c1-5-6-13(2)18-11-15(12-19(22-18)24-3)16-8-7-14(9-17(16)21)10-20(23)25-4/h5,7-9,11-13H,1,6,10,21H2,2-4H3/t13-/m0/s1
InChIKeyUXTVYKZDLDGXOA-ZDUSSCGKSA-N
MW340.42 g/mol
LogP3.73
Rot. Bonds7

About methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate

methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate (PubChem CID 159826896) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate
PubChem CID159826896
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate
SMILESC=CC[C@H](C)c1cc(-c2ccc(CC(=O)OC)cc2N)cc(OC)n1
InChIInChI=1S/C20H24N2O3/c1-5-6-13(2)18-11-15(12-19(22-18)24-3)16-8-7-14(9-17(16)21)10-20(23)25-4/h5,7-9,11-13H,1,6,10,21H2,2-4H3/t13-/m0/s1
InChIKeyUXTVYKZDLDGXOA-ZDUSSCGKSA-N
XLogP3.73
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate 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

methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(2-bromo-6-methoxy-4-pyridinyl)acetate
CID 133098117
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
methyl 2-[4-[2-[1-(methylamino)but-3-enyl]-6-oxo-1H-pyridin-4-yl]-3-(2-methylbut-3-enoylamino)phenyl]acetate
CID 157409213
sodium;hydroxyazanide;[4-[4-(2-methoxy-2-oxoethyl)-2-(2-methylbut-3-enoylamino)phenyl]-6-[1-(methylamino)but-3-enyl]-2-pyridinyl] 2-methylbut-3-enoate;methyl 2-[3-amino-4-[2-[1-(methylamino)but-3-enyl]-6-oxo-1H-pyridin-4-yl]phenyl]acetate;methyl 2-(14-amino-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-5-yl)acetate;methyl 2-[4-[2-[1-(methylamino)but-3-enyl]-6-oxo-1H-pyridin-4-yl]-3-(2-methylbut-3-enoylamino)phenyl]acetate;methyl 2-[10-methyl-14-(methylamino)-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,11,15(19)-hexaen-5-yl]acetate;methyl 2-[10-methyl-14-(methylamino)-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-5-yl]acetate;2-methylpropoxycarbonyl 2-methylbut-3-enoate;molecular hydrogen
CID 157409208
methyl 2-(4-amino-3-nitrophenyl)acetate
CID 54002717
methyl 2-(3,4-dichlorophenyl)acetate;methyl 2-(3,4-dichlorophenyl)propanoate
CID 160802839
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
CID 59519154
[(1S)-1-[4-(2,4-diaminophenyl)-2-pyridinyl]but-3-enyl]carbamic acid
CID 141301778

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate (CID 159826896) is methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate is C=CC[C@H](C)c1cc(-c2ccc(CC(=O)OC)cc2N)cc(OC)n1.
What is the InChIKey of methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate?
The InChIKey is UXTVYKZDLDGXOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-6-13(2)18-11-15(12-19(22-18)24-3)16-8-7-14(9-17(16)21)10-20(23)25-4/h5,7-9,11-13H,1,6,10,21H2,2-4H3/t13-/m0/s1.
What are the key properties of methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate?
methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate has a molecular weight of 340.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-amino-4-[2-methoxy-6-[(2S)-pent-4-en-2-yl]-4-pyridinyl]phenyl]acetate is sourced from PubChem (CID 159826896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).