(1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine

C19H27N5O2 — CID 142562015

IUPAC(1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine
SMILESC/C=C/C=N/C(N)=N/c1ccc(C2CCN(C3COC3)CC2)c(OC)n1
InChIInChI=1S/C19H27N5O2/c1-3-4-9-21-19(20)23-17-6-5-16(18(22-17)25-2)14-7-10-24(11-8-14)15-12-26-13-15/h3-6,9,14-15H,7-8,10-13H2,1-2H3,(H2,20,22,23)/b4-3+,21-9+
InChIKeyDWALPPSVWUFVPA-XCPVHJTNSA-N
MW357.46 g/mol
LogP2.26
Rot. Bonds5

About (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine

(1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine (PubChem CID 142562015) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine.

Molecular Properties

Compound Name(1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine
PubChem CID142562015
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine
SMILESC/C=C/C=N/C(N)=N/c1ccc(C2CCN(C3COC3)CC2)c(OC)n1
InChIInChI=1S/C19H27N5O2/c1-3-4-9-21-19(20)23-17-6-5-16(18(22-17)25-2)14-7-10-24(11-8-14)15-12-26-13-15/h3-6,9,14-15H,7-8,10-13H2,1-2H3,(H2,20,22,23)/b4-3+,21-9+
InChIKeyDWALPPSVWUFVPA-XCPVHJTNSA-N
XLogP2.26
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-[2-[(E)-1-cyanoprop-1-enyl]iminoethylidene]-2-[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]guanidine
CID 142562032
3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118980027
(1E)-1-(3-methylbut-2-enylidene)-2-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]guanidine;molecular hydrogen
CID 142561903
2-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118464994
2-[1-[(2R)-3,3-difluoro-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 138561996
N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643000
2-[(4R)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 142562160
2-[3,3-difluoro-1-(2-hydroxypropanoyl)piperidin-4-yl]oxy-5-[6-[[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 138571350
1-[6-[2-methanimidoyl-4-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]anilino]-2-methoxypyrimidin-4-yl]-3-methylazetidin-3-ol
CID 145234188
2-[3,3-difluoro-1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]oxy-5-[2-[[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 138576577
[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine
CID 155469053
[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485821

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine?
The IUPAC name of (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine (CID 142562015) is (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine.
What is the SMILES notation for (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine?
The canonical SMILES for (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine is C/C=C/C=N/C(N)=N/c1ccc(C2CCN(C3COC3)CC2)c(OC)n1.
What is the InChIKey of (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine?
The InChIKey is DWALPPSVWUFVPA-XCPVHJTNSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-4-9-21-19(20)23-17-6-5-16(18(22-17)25-2)14-7-10-24(11-8-14)15-12-26-13-15/h3-6,9,14-15H,7-8,10-13H2,1-2H3,(H2,20,22,23)/b4-3+,21-9+.
What are the key properties of (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine?
(1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine has a molecular weight of 357.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(E)-but-2-enylidene]-2-[6-methoxy-5-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]guanidine is sourced from PubChem (CID 142562015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).