3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide

C23H21F3N6O4 — CID 118390484

IUPAC3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2cnc(-c3ccccn3)cn2)ccc1OC(F)(F)F
InChIInChI=1S/C23H21F3N6O4/c24-23(25,26)36-19-5-4-15(11-17(19)30-21(33)14-32-7-9-35-10-8-32)22(34)31-20-13-28-18(12-29-20)16-3-1-2-6-27-16/h1-6,11-13H,7-10,14H2,(H,30,33)(H,29,31,34)
InChIKeyJRRFZEKNHJWVDV-UHFFFAOYSA-N
MW502.45 g/mol
LogP2.96
Rot. Bonds7

About 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide

3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 118390484) has the molecular formula C23H21F3N6O4 and a molecular weight of 502.45 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID118390484
Molecular FormulaC23H21F3N6O4
Molecular Weight502.45 g/mol
Exact Mass502.16
IUPAC Name3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2cnc(-c3ccccn3)cn2)ccc1OC(F)(F)F
InChIInChI=1S/C23H21F3N6O4/c24-23(25,26)36-19-5-4-15(11-17(19)30-21(33)14-32-7-9-35-10-8-32)22(34)31-20-13-28-18(12-29-20)16-3-1-2-6-27-16/h1-6,11-13H,7-10,14H2,(H,30,33)(H,29,31,34)
InChIKeyJRRFZEKNHJWVDV-UHFFFAOYSA-N
XLogP2.96
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301
N-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385278
N-[5-(3,5-difluorophenyl)pyrazin-2-yl]-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-(trifluoromethoxy)benzamide
CID 118390259
N-[6-(2-aminopyrimidin-5-yl)pyridazin-3-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385317
N-[5-(3-methylphenyl)pyrazin-2-yl]-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-(trifluoromethoxy)benzamide
CID 118385276
3-[(2-morpholin-4-ylacetyl)amino]-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 118385736
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 122500892
N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 160817530
2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
N-[5-(5-methyl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118392601
[N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzoyl]carbamimidoyl] 3-methylpyridine-2-carboximidothioate
CID 154038699
N-[5-[2-[5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 158091741

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide (CID 118390484) is 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2cnc(-c3ccccn3)cn2)ccc1OC(F)(F)F.
What is the InChIKey of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is JRRFZEKNHJWVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O4/c24-23(25,26)36-19-5-4-15(11-17(19)30-21(33)14-32-7-9-35-10-8-32)22(34)31-20-13-28-18(12-29-20)16-3-1-2-6-27-16/h1-6,11-13H,7-10,14H2,(H,30,33)(H,29,31,34).
What are the key properties of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide?
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 502.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 118390484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).