N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide

C27H25F3N4O4 — CID 86291855

IUPACN-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C27H25F3N4O4/c28-27(29,30)38-23-9-7-20(16-22(23)33-25(36)26(10-11-26)34-12-14-37-15-13-34)32-24(35)19-6-8-21(31-17-19)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,35)(H,33,36)
InChIKeyZIRCYRARYKCFJB-UHFFFAOYSA-N
MW526.52 g/mol
LogP4.70
Rot. Bonds7

About N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide

N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide (PubChem CID 86291855) has the molecular formula C27H25F3N4O4 and a molecular weight of 526.52 g/mol. Its IUPAC name is N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
PubChem CID86291855
Molecular FormulaC27H25F3N4O4
Molecular Weight526.52 g/mol
Exact Mass526.18
IUPAC NameN-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C27H25F3N4O4/c28-27(29,30)38-23-9-7-20(16-22(23)33-25(36)26(10-11-26)34-12-14-37-15-13-34)32-24(35)19-6-8-21(31-17-19)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,35)(H,33,36)
InChIKeyZIRCYRARYKCFJB-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 ≤ 500526.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide (CID 86291855) is N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)c(NC(=O)C2(N3CCOCC3)CC2)c1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is ZIRCYRARYKCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O4/c28-27(29,30)38-23-9-7-20(16-22(23)33-25(36)26(10-11-26)34-12-14-37-15-13-34)32-24(35)19-6-8-21(31-17-19)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,35)(H,33,36).
What are the key properties of N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
N-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 526.52 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-[3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 86291855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).