ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine

C19H22N2 — CID 142487989

IUPACethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
SMILESC=C(/C=C\C=C/C)c1cccc(-c2ccccn2)n1.CC
InChIInChI=1S/C17H16N2.C2H6/c1-3-4-5-9-14(2)15-11-8-12-17(19-15)16-10-6-7-13-18-16;1-2/h3-13H,2H2,1H3;1-2H3/b4-3-,9-5-;
InChIKeyOBAHWUGNUMRHDG-UPOARCEASA-N
MW278.40 g/mol
LogP5.32
Rot. Bonds4

About ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine

ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine (PubChem CID 142487989) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
PubChem CID142487989
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Nameethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
SMILESC=C(/C=C\C=C/C)c1cccc(-c2ccccn2)n1.CC
InChIInChI=1S/C17H16N2.C2H6/c1-3-4-5-9-14(2)15-11-8-12-17(19-15)16-10-6-7-13-18-16;1-2/h3-13H,2H2,1H3;1-2H3/b4-3-,9-5-;
InChIKeyOBAHWUGNUMRHDG-UPOARCEASA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-pyridin-2-ylpyridine-2-carbothioamide
CID 3034633
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
CID 155373774
cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
CID 20842770
2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine
CID 144815651
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-prop-1-en-2-ylpyridine;1-methyl-3-prop-1-en-2-ylbenzene
CID 142200596
6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
CID 139045239
(2E,4E)-hexa-2,4-dienoic acid;2-phenylpyridine
CID 175021923
ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143599197
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine?
The IUPAC name of ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine (CID 142487989) is ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine?
The canonical SMILES for ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine is C=C(/C=C\C=C/C)c1cccc(-c2ccccn2)n1.CC.
What is the InChIKey of ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine?
The InChIKey is OBAHWUGNUMRHDG-UPOARCEASA-N. The full InChI is InChI=1S/C17H16N2.C2H6/c1-3-4-5-9-14(2)15-11-8-12-17(19-15)16-10-6-7-13-18-16;1-2/h3-13H,2H2,1H3;1-2H3/b4-3-,9-5-;.
What are the key properties of ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine?
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine has a molecular weight of 278.40 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 142487989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).