4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one

C20H25N5O3 — CID 143530580

IUPAC4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one
SMILESCOc1cc(N)c(/C(=C\N)c2ccc(N3CCN(C)C(=O)C3)nc2)cc1OC
InChIInChI=1S/C20H25N5O3/c1-24-6-7-25(12-20(24)26)19-5-4-13(11-23-19)15(10-21)14-8-17(27-2)18(28-3)9-16(14)22/h4-5,8-11H,6-7,12,21-22H2,1-3H3/b15-10-
InChIKeyUHYJZXQCDZQJEC-GDNBJRDFSA-N
MW383.45 g/mol
LogP1.31
Rot. Bonds5

About 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one

4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one (PubChem CID 143530580) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one
PubChem CID143530580
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one
SMILESCOc1cc(N)c(/C(=C\N)c2ccc(N3CCN(C)C(=O)C3)nc2)cc1OC
InChIInChI=1S/C20H25N5O3/c1-24-6-7-25(12-20(24)26)19-5-4-13(11-23-19)15(10-21)14-8-17(27-2)18(28-3)9-16(14)22/h4-5,8-11H,6-7,12,21-22H2,1-3H3/b15-10-
InChIKeyUHYJZXQCDZQJEC-GDNBJRDFSA-N
XLogP1.31
TPSA106.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one with MolForge

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Related Compounds

methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
CID 114090414
2-[(Z)-2-amino-1-[6-(3-fluoroazetidin-1-yl)-3-pyridinyl]ethenyl]-5-methoxyaniline;methoxymethane
CID 143530604
4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one
CID 135301834
4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 156661924
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen
CID 144529575
4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
CID 39736267
4-amino-3-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 82795949
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
4-(4-amino-3-propoxyphenyl)-1-methylpiperazin-2-one
CID 64682580

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one (CID 143530580) is 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one is COc1cc(N)c(/C(=C\N)c2ccc(N3CCN(C)C(=O)C3)nc2)cc1OC.
What is the InChIKey of 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one?
The InChIKey is UHYJZXQCDZQJEC-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24-6-7-25(12-20(24)26)19-5-4-13(11-23-19)15(10-21)14-8-17(27-2)18(28-3)9-16(14)22/h4-5,8-11H,6-7,12,21-22H2,1-3H3/b15-10-.
What are the key properties of 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one?
4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one has a molecular weight of 383.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 143530580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).