N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide

C21H18F3N3O — CID 109172217

IUPACN-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)17-7-4-8-18(14-17)27-19-13-16(10-12-25-19)20(28)26-11-9-15-5-2-1-3-6-15/h1-8,10,12-14H,9,11H2,(H,25,27)(H,26,28)
InChIKeyVAEFGRKEMXZAED-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.82
Rot. Bonds6

About N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide

N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide (PubChem CID 109172217) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
PubChem CID109172217
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)17-7-4-8-18(14-17)27-19-13-16(10-12-25-19)20(28)26-11-9-15-5-2-1-3-6-15/h1-8,10,12-14H,9,11H2,(H,25,27)(H,26,28)
InChIKeyVAEFGRKEMXZAED-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
N-(3-hydroxypropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CID 164735182
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 117085868

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide (CID 109172217) is N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide is O=C(NCCc1ccccc1)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The InChIKey is VAEFGRKEMXZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)17-7-4-8-18(14-17)27-19-13-16(10-12-25-19)20(28)26-11-9-15-5-2-1-3-6-15/h1-8,10,12-14H,9,11H2,(H,25,27)(H,26,28).
What are the key properties of N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109172217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).