methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate

C17H20N4O3 — CID 144867120

IUPACmethyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(/C(N)=C/N(C)N)cnc1OCc1ccccc1
InChIInChI=1S/C17H20N4O3/c1-21(19)10-15(18)13-8-14(17(22)23-2)16(20-9-13)24-11-12-6-4-3-5-7-12/h3-10H,11,18-19H2,1-2H3/b15-10-
InChIKeyQFXMWIXYPSDJHZ-GDNBJRDFSA-N
MW328.37 g/mol
LogP1.51
Rot. Bonds6

About methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate

methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate (PubChem CID 144867120) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate
PubChem CID144867120
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(/C(N)=C/N(C)N)cnc1OCc1ccccc1
InChIInChI=1S/C17H20N4O3/c1-21(19)10-15(18)13-8-14(17(22)23-2)16(20-9-13)24-11-12-6-4-3-5-7-12/h3-10H,11,18-19H2,1-2H3/b15-10-
InChIKeyQFXMWIXYPSDJHZ-GDNBJRDFSA-N
XLogP1.51
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate
CID 118167810
5-N-cyclopropyl-3-N-methyl-2-phenylmethoxypyridine-3,5-dicarboxamide
CID 126648449
5-N-cyclobutyl-3-N-methyl-2-phenylmethoxypyridine-3,5-dicarboxamide
CID 126648561
methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate
CID 67476701
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 5-oxaldehydoyl-2-phenylmethoxybenzoate;hydrate
CID 131711552
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate (CID 144867120) is methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate is COC(=O)c1cc(/C(N)=C/N(C)N)cnc1OCc1ccccc1.
What is the InChIKey of methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate?
The InChIKey is QFXMWIXYPSDJHZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21(19)10-15(18)13-8-14(17(22)23-2)16(20-9-13)24-11-12-6-4-3-5-7-12/h3-10H,11,18-19H2,1-2H3/b15-10-.
What are the key properties of methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate?
methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 144867120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).