N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C19H14F3N3O3 — CID 2319420

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)13-6-8-18(28)25(10-13)11-17(27)24-23-9-15-14-4-2-1-3-12(14)5-7-16(15)26/h1-10,26H,11H2,(H,24,27)
InChIKeyXXEJSASKSCMBLL-UHFFFAOYSA-N
MW389.33 g/mol
LogP2.88
Rot. Bonds4

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2319420) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2319420
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)13-6-8-18(28)25(10-13)11-17(27)24-23-9-15-14-4-2-1-3-12(14)5-7-16(15)26/h1-10,26H,11H2,(H,24,27)
InChIKeyXXEJSASKSCMBLL-UHFFFAOYSA-N
XLogP2.88
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2319420) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is XXEJSASKSCMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-19(21,22)13-6-8-18(28)25(10-13)11-17(27)24-23-9-15-14-4-2-1-3-12(14)5-7-16(15)26/h1-10,26H,11H2,(H,24,27).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 389.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2319420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).