N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H24F3N5O4 — CID 90442611

IUPACN-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OCCO)n1
InChIInChI=1S/C24H24F3N5O4/c1-15-19(20-13-21(32-5-8-35-9-6-32)31-23(30-20)36-10-7-33)12-18(14-28-15)29-22(34)16-3-2-4-17(11-16)24(25,26)27/h2-4,11-14,33H,5-10H2,1H3,(H,29,34)
InChIKeyFFJPMZAIZAHGTD-UHFFFAOYSA-N
MW503.48 g/mol
LogP3.33
Rot. Bonds7

About N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90442611) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90442611
Molecular FormulaC24H24F3N5O4
Molecular Weight503.48 g/mol
Exact Mass503.18
IUPAC NameN-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OCCO)n1
InChIInChI=1S/C24H24F3N5O4/c1-15-19(20-13-21(32-5-8-35-9-6-32)31-23(30-20)36-10-7-33)12-18(14-28-15)29-22(34)16-3-2-4-17(11-16)24(25,26)27/h2-4,11-14,33H,5-10H2,1H3,(H,29,34)
InChIKeyFFJPMZAIZAHGTD-UHFFFAOYSA-N
XLogP3.33
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90442611) is N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OCCO)n1.
What is the InChIKey of N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FFJPMZAIZAHGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-15-19(20-13-21(32-5-8-35-9-6-32)31-23(30-20)36-10-7-33)12-18(14-28-15)29-22(34)16-3-2-4-17(11-16)24(25,26)27/h2-4,11-14,33H,5-10H2,1H3,(H,29,34).
What are the key properties of N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 503.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90442611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).