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

C21H25F3N6O2 — CID 118351661

IUPACN-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1
InChIInChI=1S/C21H25F3N6O2/c1-14(31)26-18-11-16(21(22,23)24)15(13-25-18)17-12-19(29-7-9-32-10-8-29)28-20(27-17)30-5-3-2-4-6-30/h11-13H,2-10H2,1H3,(H,25,26,31)
InChIKeyQRWCRLGLGWGDRZ-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.34
Rot. Bonds4

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

N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 118351661) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID118351661
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC NameN-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1
InChIInChI=1S/C21H25F3N6O2/c1-14(31)26-18-11-16(21(22,23)24)15(13-25-18)17-12-19(29-7-9-32-10-8-29)28-20(27-17)30-5-3-2-4-6-30/h11-13H,2-10H2,1H3,(H,25,26,31)
InChIKeyQRWCRLGLGWGDRZ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 118351661) is N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.
What is the InChIKey of N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is QRWCRLGLGWGDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2/c1-14(31)26-18-11-16(21(22,23)24)15(13-25-18)17-12-19(29-7-9-32-10-8-29)28-20(27-17)30-5-3-2-4-6-30/h11-13H,2-10H2,1H3,(H,25,26,31).
What are the key properties of N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 450.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118351661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).