2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine

C17H20N4O — CID 167523488

IUPAC2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine
SMILESC=C1C=C(C(O)N=C(N)N)C=CN1/C=C(\C)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-12(14-6-4-3-5-7-14)11-21-9-8-15(10-13(21)2)16(22)20-17(18)19/h3-11,16,22H,2H2,1H3,(H4,18,19,20)/b12-11+
InChIKeyAFCODQWELFXCIB-VAWYXSNFSA-N
MW296.37 g/mol
LogP1.91
Rot. Bonds4

About 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine

2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine (PubChem CID 167523488) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine
PubChem CID167523488
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine
SMILESC=C1C=C(C(O)N=C(N)N)C=CN1/C=C(\C)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-12(14-6-4-3-5-7-14)11-21-9-8-15(10-13(21)2)16(22)20-17(18)19/h3-11,16,22H,2H2,1H3,(H4,18,19,20)/b12-11+
InChIKeyAFCODQWELFXCIB-VAWYXSNFSA-N
XLogP1.91
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine 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

2-methylidene-4-(1-methylpyridin-1-ium-4-yl)-1-[(E)-2-phenylprop-1-enyl]pyridine
CID 164545240
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
phenyl-[(E)-2-phenylprop-1-enyl]iodanium
CID 12014626
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
(1-amino-3-phenylbut-2-enylidene)urea
CID 57144193
1-bromoprop-1-en-2-ylbenzene
CID 5152757
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-iodoprop-1-en-2-ylbenzene
CID 54065087
4-phenylpent-3-ene-1,2-diol
CID 67185961
benzenecarbothioamide;furan
CID 162109798

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine?
The IUPAC name of 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine (CID 167523488) is 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine.
What is the SMILES notation for 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine?
The canonical SMILES for 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine is C=C1C=C(C(O)N=C(N)N)C=CN1/C=C(\C)c1ccccc1.
What is the InChIKey of 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine?
The InChIKey is AFCODQWELFXCIB-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(14-6-4-3-5-7-14)11-21-9-8-15(10-13(21)2)16(22)20-17(18)19/h3-11,16,22H,2H2,1H3,(H4,18,19,20)/b12-11+.
What are the key properties of 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine?
2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine has a molecular weight of 296.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[2-methylidene-1-[(E)-2-phenylprop-1-enyl]-4-pyridinyl]methyl]guanidine is sourced from PubChem (CID 167523488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).