N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide

C13H10F3N3O — CID 139224389

IUPACN-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide
SMILESO=CNNc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)10-6-11(9-4-2-1-3-5-9)18-12(7-10)19-17-8-20/h1-8H,(H,17,20)(H,18,19)
InChIKeyCAKLODZXVWVIQA-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.84
Rot. Bonds4

About N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide

N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide (PubChem CID 139224389) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide.

Molecular Properties

Compound NameN-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide
PubChem CID139224389
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide
SMILESO=CNNc1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)10-6-11(9-4-2-1-3-5-9)18-12(7-10)19-17-8-20/h1-8H,(H,17,20)(H,18,19)
InChIKeyCAKLODZXVWVIQA-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-Methyl-4-(trifluoromethyl)-2-pyridyl)hydrazine
CID 2775684
N'-[6-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 2727259
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
Benzhydrazide, 2,6-difluoro-N2-(6-trifluoromethyl-2-pyridyl)-
CID 588100
2-Hydrazino-4,6-bis(trifluoromethyl)pyridine
CID 2764607
2-Amino-4-phenyl-6-(trifluoromethyl)pyridine
CID 118991241
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 139224363
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
CID 139224364
2,2,2-trifluoro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 139224391
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 139224393
2,6-difluoro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 4288283
N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide
CID 10591765

Frequently Asked Questions

What is the IUPAC name of N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide?
The IUPAC name of N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide (CID 139224389) is N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide.
What is the SMILES notation for N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide?
The canonical SMILES for N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide is O=CNNc1cc(C(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide?
The InChIKey is CAKLODZXVWVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)10-6-11(9-4-2-1-3-5-9)18-12(7-10)19-17-8-20/h1-8H,(H,17,20)(H,18,19).
What are the key properties of N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide?
N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide has a molecular weight of 281.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide is sourced from PubChem (CID 139224389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).