N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C14H12F3N3O — CID 114908271

IUPACN-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1N
InChIInChI=1S/C14H12F3N3O/c1-8-2-4-10(6-11(8)18)20-13(21)12-5-3-9(7-19-12)14(15,16)17/h2-7H,18H2,1H3,(H,20,21)
InChIKeyIIHWRYAJGGWZJI-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.24
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114908271) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114908271
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1N
InChIInChI=1S/C14H12F3N3O/c1-8-2-4-10(6-11(8)18)20-13(21)12-5-3-9(7-19-12)14(15,16)17/h2-7H,18H2,1H3,(H,20,21)
InChIKeyIIHWRYAJGGWZJI-UHFFFAOYSA-N
XLogP3.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114908271) is N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IIHWRYAJGGWZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-8-2-4-10(6-11(8)18)20-13(21)12-5-3-9(7-19-12)14(15,16)17/h2-7H,18H2,1H3,(H,20,21).
What are the key properties of N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114908271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).