1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine

C24H25F2N5O — CID 166663553

IUPAC1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
SMILESC=C(Nc1cccnc1)NC1CCN(c2cc(OCc3ccc(F)c(F)c3)ccn2)CC1
InChIInChI=1S/C24H25F2N5O/c1-17(30-20-3-2-9-27-15-20)29-19-7-11-31(12-8-19)24-14-21(6-10-28-24)32-16-18-4-5-22(25)23(26)13-18/h2-6,9-10,13-15,19,29-30H,1,7-8,11-12,16H2
InChIKeyZHXYSSRKZFQEFX-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.48
Rot. Bonds8

About 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine

1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine (PubChem CID 166663553) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
PubChem CID166663553
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
SMILESC=C(Nc1cccnc1)NC1CCN(c2cc(OCc3ccc(F)c(F)c3)ccn2)CC1
InChIInChI=1S/C24H25F2N5O/c1-17(30-20-3-2-9-27-15-20)29-19-7-11-31(12-8-19)24-14-21(6-10-28-24)32-16-18-4-5-22(25)23(26)13-18/h2-6,9-10,13-15,19,29-30H,1,7-8,11-12,16H2
InChIKeyZHXYSSRKZFQEFX-UHFFFAOYSA-N
XLogP4.48
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
The IUPAC name of 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine (CID 166663553) is 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
The canonical SMILES for 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine is C=C(Nc1cccnc1)NC1CCN(c2cc(OCc3ccc(F)c(F)c3)ccn2)CC1.
What is the InChIKey of 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
The InChIKey is ZHXYSSRKZFQEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-17(30-20-3-2-9-27-15-20)29-19-7-11-31(12-8-19)24-14-21(6-10-28-24)32-16-18-4-5-22(25)23(26)13-18/h2-6,9-10,13-15,19,29-30H,1,7-8,11-12,16H2.
What are the key properties of 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine has a molecular weight of 437.49 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine is sourced from PubChem (CID 166663553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).