(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine

C33H49FN4 — CID 142583878

IUPAC(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine
SMILESC=C(/C=c1/cc(NC(=C)C2(CF)CCN(CC(C)C)CC2)nc/c1=C/C)C1=C(CC)C(C)C(CCC)N=C1
InChIInChI=1S/C33H49FN4/c1-9-12-31-25(7)29(11-3)30(20-35-31)24(6)17-28-18-32(36-19-27(28)10-2)37-26(8)33(22-34)13-15-38(16-14-33)21-23(4)5/h10,17-20,23,25,31,37H,6,8-9,11-16,21-22H2,1-5,7H3/b27-10-,28-17-
InChIKeyLPBZDCADJDDFCD-HWLPGTCYSA-N
MW520.78 g/mol
LogP6.45
Rot. Bonds11

About (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine

(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine (PubChem CID 142583878) has the molecular formula C33H49FN4 and a molecular weight of 520.78 g/mol. Its IUPAC name is (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine
PubChem CID142583878
Molecular FormulaC33H49FN4
Molecular Weight520.78 g/mol
Exact Mass520.39
IUPAC Name(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine
SMILESC=C(/C=c1/cc(NC(=C)C2(CF)CCN(CC(C)C)CC2)nc/c1=C/C)C1=C(CC)C(C)C(CCC)N=C1
InChIInChI=1S/C33H49FN4/c1-9-12-31-25(7)29(11-3)30(20-35-31)24(6)17-28-18-32(36-19-27(28)10-2)37-26(8)33(22-34)13-15-38(16-14-33)21-23(4)5/h10,17-20,23,25,31,37H,6,8-9,11-16,21-22H2,1-5,7H3/b27-10-,28-17-
InChIKeyLPBZDCADJDDFCD-HWLPGTCYSA-N
XLogP6.45
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.78
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine with MolForge

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Related Compounds

N-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethenyl]-7-methyl-6,7-dihydroisoquinolin-3-amine
CID 166954504
(5E)-5-[(2E)-3-ethenyl-4-[ethenyl(methyl)amino]penta-2,4-dienylidene]-N-[1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]propyl]-4H-pyridin-2-amine
CID 166954803
(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine;1-fluorobutane
CID 142583877
(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine
CID 142583861

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine?
The IUPAC name of (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine (CID 142583878) is (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine.
What is the SMILES notation for (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine?
The canonical SMILES for (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine is C=C(/C=c1/cc(NC(=C)C2(CF)CCN(CC(C)C)CC2)nc/c1=C/C)C1=C(CC)C(C)C(CCC)N=C1.
What is the InChIKey of (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine?
The InChIKey is LPBZDCADJDDFCD-HWLPGTCYSA-N. The full InChI is InChI=1S/C33H49FN4/c1-9-12-31-25(7)29(11-3)30(20-35-31)24(6)17-28-18-32(36-19-27(28)10-2)37-26(8)33(22-34)13-15-38(16-14-33)21-23(4)5/h10,17-20,23,25,31,37H,6,8-9,11-16,21-22H2,1-5,7H3/b27-10-,28-17-.
What are the key properties of (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine?
(4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine has a molecular weight of 520.78 g/mol, XLogP of 6.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-ethylidene-4-[2-(4-ethyl-3-methyl-2-propyl-2,3-dihydropyridin-5-yl)prop-2-enylidene]-N-[1-[4-(fluoromethyl)-1-(2-methylpropyl)piperidin-4-yl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 142583878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).