5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol

C20H28N4O2 — CID 168937724

IUPAC5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol
SMILESC=C(NCC(C)(C)C(=C)O)c1ncc(/C(=C/N)C2=NCCCC2)cc1O
InChIInChI=1S/C20H28N4O2/c1-13(24-12-20(3,4)14(2)25)19-18(26)9-15(11-23-19)16(10-21)17-7-5-6-8-22-17/h9-11,24-26H,1-2,5-8,12,21H2,3-4H3/b16-10-
InChIKeyKORJGUIVNKVABN-YBEGLDIGSA-N
MW356.47 g/mol
LogP3.37
Rot. Bonds7

About 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol

5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol (PubChem CID 168937724) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol
PubChem CID168937724
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol
SMILESC=C(NCC(C)(C)C(=C)O)c1ncc(/C(=C/N)C2=NCCCC2)cc1O
InChIInChI=1S/C20H28N4O2/c1-13(24-12-20(3,4)14(2)25)19-18(26)9-15(11-23-19)16(10-21)17-7-5-6-8-22-17/h9-11,24-26H,1-2,5-8,12,21H2,3-4H3/b16-10-
InChIKeyKORJGUIVNKVABN-YBEGLDIGSA-N
XLogP3.37
TPSA103.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]-5-isoquinolin-7-ylpyridin-3-ol
CID 168937620
4-[1-[5-[6-(4-chloroanilino)naphthalen-2-yl]-3-methyl-2-pyridinyl]ethenylamino]-3,3-dimethylbut-1-en-2-ol
CID 168937779
(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine
CID 10681416
3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937623
3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937715
2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134313211
ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate
CID 168937760
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
3-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 122107981
2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine
CID 156569364

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol?
The IUPAC name of 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol (CID 168937724) is 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol.
What is the SMILES notation for 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol?
The canonical SMILES for 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol is C=C(NCC(C)(C)C(=C)O)c1ncc(/C(=C/N)C2=NCCCC2)cc1O.
What is the InChIKey of 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol?
The InChIKey is KORJGUIVNKVABN-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(24-12-20(3,4)14(2)25)19-18(26)9-15(11-23-19)16(10-21)17-7-5-6-8-22-17/h9-11,24-26H,1-2,5-8,12,21H2,3-4H3/b16-10-.
What are the key properties of 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol?
5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol has a molecular weight of 356.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-amino-1-(2,3,4,5-tetrahydropyridin-6-yl)ethenyl]-2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]pyridin-3-ol is sourced from PubChem (CID 168937724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).