N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C15H13F3N4O — CID 6904304

IUPACN-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccncc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)12-2-1-3-13(8-12)20-10-14(23)22-21-9-11-4-6-19-7-5-11/h1-9,20H,10H2,(H,22,23)/b21-9+
InChIKeyRCCVKJHSAFZVCK-ZVBGSRNCSA-N
MW322.29 g/mol
LogP2.66
Rot. Bonds5

About N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 6904304) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID6904304
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccncc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)12-2-1-3-13(8-12)20-10-14(23)22-21-9-11-4-6-19-7-5-11/h1-9,20H,10H2,(H,22,23)/b21-9+
InChIKeyRCCVKJHSAFZVCK-ZVBGSRNCSA-N
XLogP2.66
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 6904304) is N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccncc1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is RCCVKJHSAFZVCK-ZVBGSRNCSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)12-2-1-3-13(8-12)20-10-14(23)22-21-9-11-4-6-19-7-5-11/h1-9,20H,10H2,(H,22,23)/b21-9+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 322.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 6904304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).