N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide

C25H23F3N4O4 — CID 86293971

IUPACN-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N4O4/c26-25(27,28)36-22-9-7-19(14-21(22)31-23(33)16-32-10-12-35-13-11-32)30-24(34)18-6-8-20(29-15-18)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,33)
InChIKeySOMPCIKDNUVLIX-UHFFFAOYSA-N
MW500.48 g/mol
LogP4.17
Rot. Bonds7

About N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide

N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide (PubChem CID 86293971) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
PubChem CID86293971
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC NameN-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N4O4/c26-25(27,28)36-22-9-7-19(14-21(22)31-23(33)16-32-10-12-35-13-11-32)30-24(34)18-6-8-20(29-15-18)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,33)
InChIKeySOMPCIKDNUVLIX-UHFFFAOYSA-N
XLogP4.17
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide (CID 86293971) is N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide is O=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F.
What is the InChIKey of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is SOMPCIKDNUVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c26-25(27,28)36-22-9-7-19(14-21(22)31-23(33)16-32-10-12-35-13-11-32)30-24(34)18-6-8-20(29-15-18)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,33).
What are the key properties of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 86293971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).