N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline

C24H28FN5O — CID 90874725

IUPACN-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline
SMILESCCc1cnc(N2CCC(Oc3ccc(CNc4ccc(C)cc4F)cn3)CC2)nc1
InChIInChI=1S/C24H28FN5O/c1-3-18-13-28-24(29-14-18)30-10-8-20(9-11-30)31-23-7-5-19(16-27-23)15-26-22-6-4-17(2)12-21(22)25/h4-7,12-14,16,20,26H,3,8-11,15H2,1-2H3
InChIKeyRIJOSZWGCLEDFN-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.54
Rot. Bonds7

About N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline

N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline (PubChem CID 90874725) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline
PubChem CID90874725
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline
SMILESCCc1cnc(N2CCC(Oc3ccc(CNc4ccc(C)cc4F)cn3)CC2)nc1
InChIInChI=1S/C24H28FN5O/c1-3-18-13-28-24(29-14-18)30-10-8-20(9-11-30)31-23-7-5-19(16-27-23)15-26-22-6-4-17(2)12-21(22)25/h4-7,12-14,16,20,26H,3,8-11,15H2,1-2H3
InChIKeyRIJOSZWGCLEDFN-UHFFFAOYSA-N
XLogP4.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline (CID 90874725) is N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline is CCc1cnc(N2CCC(Oc3ccc(CNc4ccc(C)cc4F)cn3)CC2)nc1.
What is the InChIKey of N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline?
The InChIKey is RIJOSZWGCLEDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-3-18-13-28-24(29-14-18)30-10-8-20(9-11-30)31-23-7-5-19(16-27-23)15-26-22-6-4-17(2)12-21(22)25/h4-7,12-14,16,20,26H,3,8-11,15H2,1-2H3.
What are the key properties of N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline?
N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline has a molecular weight of 421.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 90874725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).