4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C22H20F3N3O — CID 109212643

IUPAC4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H20F3N3O/c1-2-28(15-16-7-4-3-5-8-16)19-11-12-26-20(14-19)21(29)27-18-10-6-9-17(13-18)22(23,24)25/h3-14H,2,15H2,1H3,(H,27,29)
InChIKeyKQAXVEZDCVCHCM-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.38
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109212643) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109212643
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H20F3N3O/c1-2-28(15-16-7-4-3-5-8-16)19-11-12-26-20(14-19)21(29)27-18-10-6-9-17(13-18)22(23,24)25/h3-14H,2,15H2,1H3,(H,27,29)
InChIKeyKQAXVEZDCVCHCM-UHFFFAOYSA-N
XLogP5.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213709
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109210364
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109212643) is 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is KQAXVEZDCVCHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-2-28(15-16-7-4-3-5-8-16)19-11-12-26-20(14-19)21(29)27-18-10-6-9-17(13-18)22(23,24)25/h3-14H,2,15H2,1H3,(H,27,29).
What are the key properties of 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).