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

C41H48BrClF6N12O5 — CID 158209844

IUPACN-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[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.CC(=O)Nc1cc(C(F)(F)F)c(Br)cn1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H25F3N6O2.C12H17ClN4O2.C8H6BrF3N2O/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;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;1-4(15)14-7-2-5(8(10,11)12)6(9)3-13-7/h11-13H,2-10H2,1H3,(H,25,26,31);9H,1-8H2;2-3H,1H3,(H,13,14,15)
InChIKeyGBYBPZCPWMKRDA-UHFFFAOYSA-N
MW1018.26 g/mol
LogP6.97
Rot. Bonds7

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

N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 158209844) has the molecular formula C41H48BrClF6N12O5 and a molecular weight of 1018.26 g/mol. Its IUPAC name is N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID158209844
Molecular FormulaC41H48BrClF6N12O5
Molecular Weight1018.26 g/mol
Exact Mass1016.26
IUPAC NameN-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[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.CC(=O)Nc1cc(C(F)(F)F)c(Br)cn1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H25F3N6O2.C12H17ClN4O2.C8H6BrF3N2O/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;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;1-4(15)14-7-2-5(8(10,11)12)6(9)3-13-7/h11-13H,2-10H2,1H3,(H,25,26,31);9H,1-8H2;2-3H,1H3,(H,13,14,15)
InChIKeyGBYBPZCPWMKRDA-UHFFFAOYSA-N
XLogP6.97
TPSA176.19 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.26
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-(5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl)acetamide
CID 76286470
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-(4-chloropyridin-2-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507984
N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]-2,2,2-trifluoroacetamide
CID 77104982
N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]propanamide
CID 77104983
Bis(5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine);hydrate
CID 87173418
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]docosa-4,7,10,13,16,19-hexaenamide
CID 117795845
N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 118351661
2,2,2-trifluoro-N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]acetamide
CID 118565667
N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]docosa-4,7,10,13,16,19-hexaenamide
CID 123780409
ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 144740205
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-[2-morpholin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]morpholine
CID 157812888
4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane
CID 157914419

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 158209844) is N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;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-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;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.CC(=O)Nc1cc(C(F)(F)F)c(Br)cn1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is GBYBPZCPWMKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2.C12H17ClN4O2.C8H6BrF3N2O/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;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;1-4(15)14-7-2-5(8(10,11)12)6(9)3-13-7/h11-13H,2-10H2,1H3,(H,25,26,31);9H,1-8H2;2-3H,1H3,(H,13,14,15).
What are the key properties of N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 1018.26 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]acetamide;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158209844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).