N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H12F3N3O2 — CID 2746682

IUPACN-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESN/C(=N\C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)9-23-12-7-6-11(8-20-12)14(22)21-13(19)10-4-2-1-3-5-10/h1-8H,9H2,(H2,19,21,22)
InChIKeyZDMPSAPHXKVSDW-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.57
Rot. Bonds4

About N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2746682) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2746682
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESN/C(=N\C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)9-23-12-7-6-11(8-20-12)14(22)21-13(19)10-4-2-1-3-5-10/h1-8H,9H2,(H2,19,21,22)
InChIKeyZDMPSAPHXKVSDW-UHFFFAOYSA-N
XLogP2.57
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ondelopran
CID 10457387
2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 11837154
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
2-Phenoxynicotinohydrazide
CID 2797685
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068
9P7ZX5Bwv8
CID 9904911
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
6-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727208
2-(2-Propoxy-phenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135433829

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2746682) is N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is N/C(=N\C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZDMPSAPHXKVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)9-23-12-7-6-11(8-20-12)14(22)21-13(19)10-4-2-1-3-5-10/h1-8H,9H2,(H2,19,21,22).
What are the key properties of N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2746682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).