N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

C19H22F3N7O3 — CID 46202976

IUPACN-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
InChIKeyLAGOIAGOMPRLAM-UHFFFAOYSA-N
MW453.43 g/mol
LogP1.58
Rot. Bonds4

About N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 46202976) has the molecular formula C19H22F3N7O3 and a molecular weight of 453.43 g/mol. Its IUPAC name is N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID46202976
Molecular FormulaC19H22F3N7O3
Molecular Weight453.43 g/mol
Exact Mass453.17
IUPAC NameN-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
InChIKeyLAGOIAGOMPRLAM-UHFFFAOYSA-N
XLogP1.58
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 46202976) is N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is LAGOIAGOMPRLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30).
What are the key properties of N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 453.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 46202976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).