N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide

C15H12F3N3O — CID 4836895

IUPACN-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O/c1-10(11-4-2-6-13(8-11)15(16,17)18)20-21-14(22)12-5-3-7-19-9-12/h2-9H,1H3,(H,21,22)
InChIKeyBNPDHUVQEUOSPT-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.25
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide

N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 4836895) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
PubChem CID4836895
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O/c1-10(11-4-2-6-13(8-11)15(16,17)18)20-21-14(22)12-5-3-7-19-9-12/h2-9H,1H3,(H,21,22)
InChIKeyBNPDHUVQEUOSPT-UHFFFAOYSA-N
XLogP3.25
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6091313
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(6-methyl-2-pyridinyl)ethylideneamino]pyridine-3-carboxamide
CID 20843946
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
N-[[4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide
CID 5160563

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide (CID 4836895) is N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is BNPDHUVQEUOSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-10(11-4-2-6-13(8-11)15(16,17)18)20-21-14(22)12-5-3-7-19-9-12/h2-9H,1H3,(H,21,22).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide?
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4836895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).