2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide

C21H25F3N6O2 — CID 118565667

IUPAC2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)ncc1-c1cc(N2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H25F3N6O2/c1-14-11-17(27-19(31)21(22,23)24)25-13-15(14)16-12-18(29-7-9-32-10-8-29)28-20(26-16)30-5-3-2-4-6-30/h11-13H,2-10H2,1H3,(H,25,27,31)
InChIKeyANLCXTFLGKESFW-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.17
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide

2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide (PubChem CID 118565667) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide
PubChem CID118565667
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC Name2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)ncc1-c1cc(N2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H25F3N6O2/c1-14-11-17(27-19(31)21(22,23)24)25-13-15(14)16-12-18(29-7-9-32-10-8-29)28-20(26-16)30-5-3-2-4-6-30/h11-13H,2-10H2,1H3,(H,25,27,31)
InChIKeyANLCXTFLGKESFW-UHFFFAOYSA-N
XLogP3.17
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide (CID 118565667) is 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide is Cc1cc(NC(=O)C(F)(F)F)ncc1-c1cc(N2CCOCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide?
The InChIKey is ANLCXTFLGKESFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2/c1-14-11-17(27-19(31)21(22,23)24)25-13-15(14)16-12-18(29-7-9-32-10-8-29)28-20(26-16)30-5-3-2-4-6-30/h11-13H,2-10H2,1H3,(H,25,27,31).
What are the key properties of 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide?
2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide has a molecular weight of 450.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118565667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).