(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide

C14H17N3 — CID 126499757

IUPAC(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide
SMILESC=Cc1cnccc1/N=C(N)/C(C)=C/C=C\C
InChIInChI=1S/C14H17N3/c1-4-6-7-11(3)14(15)17-13-8-9-16-10-12(13)5-2/h4-10H,2H2,1,3H3,(H2,15,16,17)/b6-4-,11-7+
InChIKeyVOEXHUZVDIWYEC-WXVRQDIQSA-N
MW227.31 g/mol
LogP3.24
Rot. Bonds4

About (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide

(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide (PubChem CID 126499757) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide
PubChem CID126499757
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide
SMILESC=Cc1cnccc1/N=C(N)/C(C)=C/C=C\C
InChIInChI=1S/C14H17N3/c1-4-6-7-11(3)14(15)17-13-8-9-16-10-12(13)5-2/h4-10H,2H2,1,3H3,(H2,15,16,17)/b6-4-,11-7+
InChIKeyVOEXHUZVDIWYEC-WXVRQDIQSA-N
XLogP3.24
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.24
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

azidooxy-[(1E,3Z)-1-(3-ethenyl-4-pyridinyl)penta-1,3-dienyl]-methyl-λ3-iodane;ethane
CID 142823970
(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide
CID 126518692
1-(4-ethenyl-3-pyridinyl)ethanol
CID 20741865
(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine
CID 134350526
3-ethenyl-4-methoxypyridine
CID 56972695
(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
CID 155131804
7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
CID 123192453
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
3-bromopyridin-4-amine;prop-1-ene
CID 67817443
4-[2,5-bis(ethenyl)-4-(3-ethenyl-4-pyridinyl)phenyl]-3-ethenylpyridine
CID 102110528
4-ethenyl-3-[(Z)-3-methylbut-1-enyl]pyridine
CID 142220960
1-(4-ethenyl-3-pyridinyl)cyclopropan-1-amine
CID 74891778

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide (CID 126499757) is (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide is C=Cc1cnccc1/N=C(N)/C(C)=C/C=C\C.
What is the InChIKey of (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide?
The InChIKey is VOEXHUZVDIWYEC-WXVRQDIQSA-N. The full InChI is InChI=1S/C14H17N3/c1-4-6-7-11(3)14(15)17-13-8-9-16-10-12(13)5-2/h4-10H,2H2,1,3H3,(H2,15,16,17)/b6-4-,11-7+.
What are the key properties of (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide?
(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide has a molecular weight of 227.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide is sourced from PubChem (CID 126499757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).