2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C20H16F3N3O — CID 109169562

IUPAC2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)16-7-4-8-17(12-16)26-19(27)15-9-10-24-18(11-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyCGLXYEWVCXXJNH-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.96
Rot. Bonds5

About 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109169562) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109169562
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)16-7-4-8-17(12-16)26-19(27)15-9-10-24-18(11-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyCGLXYEWVCXXJNH-UHFFFAOYSA-N
XLogP4.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109177254
N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109170025
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213709
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109169562) is 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(NCc2ccccc2)c1.
What is the InChIKey of 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is CGLXYEWVCXXJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)16-7-4-8-17(12-16)26-19(27)15-9-10-24-18(11-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)(H,26,27).
What are the key properties of 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109169562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).