N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

C26H24F4N4O4 — CID 90463129

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(OC(F)(F)F)ccc1C(=O)Nc1ccc(-c2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-23-14-20(38-26(28,29)30)6-7-21(23)25(36)32-19-5-8-22(31-15-19)17-3-2-4-18(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35)
InChIKeyVLRYWFXJUISAAG-UHFFFAOYSA-N
MW532.49 g/mol
LogP4.70
Rot. Bonds7

About N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (PubChem CID 90463129) has the molecular formula C26H24F4N4O4 and a molecular weight of 532.49 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
PubChem CID90463129
Molecular FormulaC26H24F4N4O4
Molecular Weight532.49 g/mol
Exact Mass532.17
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(OC(F)(F)F)ccc1C(=O)Nc1ccc(-c2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-23-14-20(38-26(28,29)30)6-7-21(23)25(36)32-19-5-8-22(31-15-19)17-3-2-4-18(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35)
InChIKeyVLRYWFXJUISAAG-UHFFFAOYSA-N
XLogP4.70
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 118385748
tert-butyl N-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamate
CID 118393080
tert-butyl-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 129021633
N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 158279988
N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethyl)phenyl]-4-phenylbenzamide
CID 90459105
N-[5-[[[6-(3-fluorophenyl)-3-pyridinyl]-hydroxymethyl]amino]-2-(trifluoromethoxy)phenyl]-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide
CID 123556632
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
CID 110483733
6-(3-fluorophenyl)-N-[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)but-3-enoylamino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 163650655
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
N-[5-[7-(5-fluoro-3-pyridinyl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 138504930

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (CID 90463129) is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is CC(C(=O)Nc1cc(OC(F)(F)F)ccc1C(=O)Nc1ccc(-c2cccc(F)c2)nc1)N1CCOCC1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The InChIKey is VLRYWFXJUISAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-23-14-20(38-26(28,29)30)6-7-21(23)25(36)32-19-5-8-22(31-15-19)17-3-2-4-18(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide has a molecular weight of 532.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90463129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).