N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide

C21H24F3N5O3 — CID 58508127

IUPACN-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N5O3/c1-14(30)25-18-3-2-16(20(27-18)21(22,23)24)17-12-15(28-4-8-31-9-5-28)13-19(26-17)29-6-10-32-11-7-29/h2-3,12-13H,4-11H2,1H3,(H,25,27,30)
InChIKeyKOBJQCPDZPZRLL-UHFFFAOYSA-N
MW451.45 g/mol
LogP2.79
Rot. Bonds4

About N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide

N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 58508127) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID58508127
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC NameN-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N5O3/c1-14(30)25-18-3-2-16(20(27-18)21(22,23)24)17-12-15(28-4-8-31-9-5-28)13-19(26-17)29-6-10-32-11-7-29/h2-3,12-13H,4-11H2,1H3,(H,25,27,30)
InChIKeyKOBJQCPDZPZRLL-UHFFFAOYSA-N
XLogP2.79
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349
5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 58508094
3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide
CID 176712061
2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 77105180
4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
CID 143514854
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
5-(4,6-dimorpholin-4-yl-2-pyridinyl)pyridin-3-ol
CID 58507745
4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 136564579
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
methyl 2-[[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 91654805
1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone
CID 127042049
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122294072

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 58508127) is N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is KOBJQCPDZPZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-14(30)25-18-3-2-16(20(27-18)21(22,23)24)17-12-15(28-4-8-31-9-5-28)13-19(26-17)29-6-10-32-11-7-29/h2-3,12-13H,4-11H2,1H3,(H,25,27,30).
What are the key properties of N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 451.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 58508127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).