4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine

C29H41N5 — CID 142583814

IUPAC4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine
SMILESC=C(/C=c1/cc(NC)nc/c1=C/C)C1=CN=CC1.C=CC1CCN(C(=C)CN2CCCC2)CC1
InChIInChI=1S/C15H17N3.C14H24N2/c1-4-12-10-18-15(16-3)8-14(12)7-11(2)13-5-6-17-9-13;1-3-14-6-10-16(11-7-14)13(2)12-15-8-4-5-9-15/h4,6-10,16H,2,5H2,1,3H3;3,14H,1-2,4-12H2/b12-4-,14-7-;
InChIKeyJLXHFOBYBSSDEW-ZZPCGQEZSA-N
MW459.68 g/mol
LogP4.11
Rot. Bonds7

About 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine

4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine (PubChem CID 142583814) has the molecular formula C29H41N5 and a molecular weight of 459.68 g/mol. Its IUPAC name is 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine.

Molecular Properties

Compound Name4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine
PubChem CID142583814
Molecular FormulaC29H41N5
Molecular Weight459.68 g/mol
Exact Mass459.34
IUPAC Name4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine
SMILESC=C(/C=c1/cc(NC)nc/c1=C/C)C1=CN=CC1.C=CC1CCN(C(=C)CN2CCCC2)CC1
InChIInChI=1S/C15H17N3.C14H24N2/c1-4-12-10-18-15(16-3)8-14(12)7-11(2)13-5-6-17-9-13;1-3-14-6-10-16(11-7-14)13(2)12-15-8-4-5-9-15/h4,6-10,16H,2,5H2,1,3H3;3,14H,1-2,4-12H2/b12-4-,14-7-;
InChIKeyJLXHFOBYBSSDEW-ZZPCGQEZSA-N
XLogP4.11
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.68
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine?
The IUPAC name of 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine (CID 142583814) is 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine.
What is the SMILES notation for 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine?
The canonical SMILES for 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine is C=C(/C=c1/cc(NC)nc/c1=C/C)C1=CN=CC1.C=CC1CCN(C(=C)CN2CCCC2)CC1.
What is the InChIKey of 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine?
The InChIKey is JLXHFOBYBSSDEW-ZZPCGQEZSA-N. The full InChI is InChI=1S/C15H17N3.C14H24N2/c1-4-12-10-18-15(16-3)8-14(12)7-11(2)13-5-6-17-9-13;1-3-14-6-10-16(11-7-14)13(2)12-15-8-4-5-9-15/h4,6-10,16H,2,5H2,1,3H3;3,14H,1-2,4-12H2/b12-4-,14-7-;.
What are the key properties of 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine?
4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine has a molecular weight of 459.68 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidine;(4Z,5E)-5-ethylidene-N-methyl-4-[2-(3H-pyrrol-4-yl)prop-2-enylidene]pyridin-2-amine is sourced from PubChem (CID 142583814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).