4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide

C25H19F3N4O3 — CID 91288953

IUPAC4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3ccc(C(=O)Nc4cc(N)cc(C(F)(F)F)c4)cc3c2)ccn1
InChIInChI=1S/C25H19F3N4O3/c26-25(27,28)18-10-19(29)12-20(11-18)32-24(34)16-2-1-15-3-4-21(9-17(15)8-16)35-13-14-5-6-31-22(7-14)23(30)33/h1-12H,13,29H2,(H2,30,33)(H,32,34)
InChIKeyGKUKTEOEULPYOI-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.77
Rot. Bonds6

About 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide

4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 91288953) has the molecular formula C25H19F3N4O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID91288953
Molecular FormulaC25H19F3N4O3
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC Name4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3ccc(C(=O)Nc4cc(N)cc(C(F)(F)F)c4)cc3c2)ccn1
InChIInChI=1S/C25H19F3N4O3/c26-25(27,28)18-10-19(29)12-20(11-18)32-24(34)16-2-1-15-3-4-21(9-17(15)8-16)35-13-14-5-6-31-22(7-14)23(30)33/h1-12H,13,29H2,(H2,30,33)(H,32,34)
InChIKeyGKUKTEOEULPYOI-UHFFFAOYSA-N
XLogP4.77
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide (CID 91288953) is 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc3ccc(C(=O)Nc4cc(N)cc(C(F)(F)F)c4)cc3c2)ccn1.
What is the InChIKey of 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is GKUKTEOEULPYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3/c26-25(27,28)18-10-19(29)12-20(11-18)32-24(34)16-2-1-15-3-4-21(9-17(15)8-16)35-13-14-5-6-31-22(7-14)23(30)33/h1-12H,13,29H2,(H2,30,33)(H,32,34).
What are the key properties of 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91288953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).