(4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine

C28H35N5 — CID 142584497

IUPAC(4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine
SMILESC=C/C(=C\C)C(=C)/C=c1/cc(NC(=C)c2ccnc(N3CCC(NC)CC3)c2)nc/c1=C/C
InChIInChI=1S/C28H35N5/c1-7-22(8-2)20(4)16-25-17-27(31-19-23(25)9-3)32-21(5)24-10-13-30-28(18-24)33-14-11-26(29-6)12-15-33/h7-10,13,16-19,26,29,32H,1,4-5,11-12,14-15H2,2-3,6H3/b22-8+,23-9-,25-16-
InChIKeyUSXSIXIBVBGPEZ-DXKCCKHMSA-N
MW441.62 g/mol
LogP4.02
Rot. Bonds8

About (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine

(4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine (PubChem CID 142584497) has the molecular formula C28H35N5 and a molecular weight of 441.62 g/mol. Its IUPAC name is (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name(4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine
PubChem CID142584497
Molecular FormulaC28H35N5
Molecular Weight441.62 g/mol
Exact Mass441.29
IUPAC Name(4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine
SMILESC=C/C(=C\C)C(=C)/C=c1/cc(NC(=C)c2ccnc(N3CCC(NC)CC3)c2)nc/c1=C/C
InChIInChI=1S/C28H35N5/c1-7-22(8-2)20(4)16-25-17-27(31-19-23(25)9-3)32-21(5)24-10-13-30-28(18-24)33-14-11-26(29-6)12-15-33/h7-10,13,16-19,26,29,32H,1,4-5,11-12,14-15H2,2-3,6H3/b22-8+,23-9-,25-16-
InChIKeyUSXSIXIBVBGPEZ-DXKCCKHMSA-N
XLogP4.02
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine?
The IUPAC name of (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine (CID 142584497) is (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine.
What is the SMILES notation for (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine?
The canonical SMILES for (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine is C=C/C(=C\C)C(=C)/C=c1/cc(NC(=C)c2ccnc(N3CCC(NC)CC3)c2)nc/c1=C/C.
What is the InChIKey of (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine?
The InChIKey is USXSIXIBVBGPEZ-DXKCCKHMSA-N. The full InChI is InChI=1S/C28H35N5/c1-7-22(8-2)20(4)16-25-17-27(31-19-23(25)9-3)32-21(5)24-10-13-30-28(18-24)33-14-11-26(29-6)12-15-33/h7-10,13,16-19,26,29,32H,1,4-5,11-12,14-15H2,2-3,6H3/b22-8+,23-9-,25-16-.
What are the key properties of (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine?
(4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine has a molecular weight of 441.62 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]-5-ethylidene-N-[1-[2-[4-(methylamino)piperidin-1-yl]-4-pyridinyl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 142584497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).