5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C20H16F3N3O — CID 117087550

IUPAC5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1cccc(-c2cncc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)17-5-1-3-13(7-17)10-26-19(27)16-8-15(11-25-12-16)14-4-2-6-18(24)9-14/h1-9,11-12H,10,24H2,(H,26,27)
InChIKeyIFAYYTJUYLMKHA-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.28
Rot. Bonds4

About 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 117087550) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID117087550
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1cccc(-c2cncc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)17-5-1-3-13(7-17)10-26-19(27)16-8-15(11-25-12-16)14-4-2-6-18(24)9-14/h1-9,11-12H,10,24H2,(H,26,27)
InChIKeyIFAYYTJUYLMKHA-UHFFFAOYSA-N
XLogP4.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117088284
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[(3-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide;methane
CID 159549428
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 117087550) is 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is Nc1cccc(-c2cncc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IFAYYTJUYLMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)17-5-1-3-13(7-17)10-26-19(27)16-8-15(11-25-12-16)14-4-2-6-18(24)9-14/h1-9,11-12H,10,24H2,(H,26,27).
What are the key properties of 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 117087550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).