N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H17F3N2O2 — CID 155464571

IUPACN-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C22H17F3N2O2/c1-2-14-7-6-10-16(13-14)19(15-8-4-3-5-9-15)27-21(29)17-11-12-18(22(23,24)25)26-20(17)28/h2-13,19H,1H2,(H,26,28)(H,27,29)
InChIKeyLFGRXRBCMISDBS-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.56
Rot. Bonds5

About N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464571) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464571
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C22H17F3N2O2/c1-2-14-7-6-10-16(13-14)19(15-8-4-3-5-9-15)27-21(29)17-11-12-18(22(23,24)25)26-20(17)28/h2-13,19H,1H2,(H,26,28)(H,27,29)
InChIKeyLFGRXRBCMISDBS-UHFFFAOYSA-N
XLogP4.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464571) is N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=Cc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LFGRXRBCMISDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-2-14-7-6-10-16(13-14)19(15-8-4-3-5-9-15)27-21(29)17-11-12-18(22(23,24)25)26-20(17)28/h2-13,19H,1H2,(H,26,28)(H,27,29).
What are the key properties of N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).