N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide

C15H19N3 — CID 174183126

IUPACN'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide
SMILESC=c1ncc(C/C=C\N=C(/C)N)c/c1=C/C=C\C
InChIInChI=1S/C15H19N3/c1-4-5-8-15-10-14(11-18-12(15)2)7-6-9-17-13(3)16/h4-6,8-11H,2,7H2,1,3H3,(H2,16,17)/b5-4-,9-6-,15-8-
InChIKeyAIFDYDLRHZWOQI-YEWCDYJVSA-N
MW241.34 g/mol
LogP1.28
Rot. Bonds4

About N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide

N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide (PubChem CID 174183126) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide
PubChem CID174183126
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide
SMILESC=c1ncc(C/C=C\N=C(/C)N)c/c1=C/C=C\C
InChIInChI=1S/C15H19N3/c1-4-5-8-15-10-14(11-18-12(15)2)7-6-9-17-13(3)16/h4-6,8-11H,2,7H2,1,3H3,(H2,16,17)/b5-4-,9-6-,15-8-
InChIKeyAIFDYDLRHZWOQI-YEWCDYJVSA-N
XLogP1.28
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-4-amino-N'-[(Z,3E)-6-fluoro-2,2-dimethyl-3-prop-2-enylidenehept-4-enyl]-4-(2-methylidenepyrimidin-5-ylidene)but-2-enimidamide
CID 139323812
N'-[(Z)-2-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]but-2-enyl]ethanimidamide
CID 155728806
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
5H-pyrido[2,3-b]indol-4-amine
CID 86754514
(1E)-1-[(4Z)-4-prop-2-enylidene-3-pyridinylidene]ethanamine
CID 89223414
(Z)-2-[(E,3E)-3-(4-amino-3-methylidene-2-pyridinylidene)prop-1-enyl]but-1-ene-1,3-diamine
CID 89259985
3-Methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
CID 90857939
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
N-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-2-pyridinyl]-4,5-dihydropyrimidin-2-amine
CID 117813836
[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane
CID 126516035

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide (CID 174183126) is N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide is C=c1ncc(C/C=C\N=C(/C)N)c/c1=C/C=C\C.
What is the InChIKey of N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide?
The InChIKey is AIFDYDLRHZWOQI-YEWCDYJVSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-5-8-15-10-14(11-18-12(15)2)7-6-9-17-13(3)16/h4-6,8-11H,2,7H2,1,3H3,(H2,16,17)/b5-4-,9-6-,15-8-.
What are the key properties of N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide?
N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide has a molecular weight of 241.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-[(5Z)-5-[(Z)-but-2-enylidene]-6-methylidene-3-pyridinyl]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 174183126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).