(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine

C24H33F2N3 — CID 142584788

IUPAC(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine
SMILESC=C(Nc1cc(=C/C/C(=C/C)N(C)C(=C)C)/c(=C\C)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C24H33F2N3/c1-7-19-16-27-23(28-18(5)20-11-13-24(25,26)14-12-20)15-21(19)9-10-22(8-2)29(6)17(3)4/h7-9,15-16,20,28H,3,5,10-14H2,1-2,4,6H3/b19-7-,21-9-,22-8-
InChIKeyFFHUFTVMGHMUOK-CUPHUNRFSA-N
MW401.55 g/mol
LogP5.17
Rot. Bonds7

About (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine

(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine (PubChem CID 142584788) has the molecular formula C24H33F2N3 and a molecular weight of 401.55 g/mol. Its IUPAC name is (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine.

Molecular Properties

Compound Name(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine
PubChem CID142584788
Molecular FormulaC24H33F2N3
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine
SMILESC=C(Nc1cc(=C/C/C(=C/C)N(C)C(=C)C)/c(=C\C)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C24H33F2N3/c1-7-19-16-27-23(28-18(5)20-11-13-24(25,26)14-12-20)15-21(19)9-10-22(8-2)29(6)17(3)4/h7-9,15-16,20,28H,3,5,10-14H2,1-2,4,6H3/b19-7-,21-9-,22-8-
InChIKeyFFHUFTVMGHMUOK-CUPHUNRFSA-N
XLogP5.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine?
The IUPAC name of (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine (CID 142584788) is (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine.
What is the SMILES notation for (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine?
The canonical SMILES for (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine is C=C(Nc1cc(=C/C/C(=C/C)N(C)C(=C)C)/c(=C\C)cn1)C1CCC(F)(F)CC1.
What is the InChIKey of (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine?
The InChIKey is FFHUFTVMGHMUOK-CUPHUNRFSA-N. The full InChI is InChI=1S/C24H33F2N3/c1-7-19-16-27-23(28-18(5)20-11-13-24(25,26)14-12-20)15-21(19)9-10-22(8-2)29(6)17(3)4/h7-9,15-16,20,28H,3,5,10-14H2,1-2,4,6H3/b19-7-,21-9-,22-8-.
What are the key properties of (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine?
(4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine has a molecular weight of 401.55 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-5-ethylidene-4-[(Z)-3-[methyl(prop-1-en-2-yl)amino]pent-3-enylidene]pyridin-2-amine is sourced from PubChem (CID 142584788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).