N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H19F3N2O3 — CID 155464403

IUPACN-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3/c1-13-8-9-15(17(12-13)30-2)19(14-6-4-3-5-7-14)27-21(29)16-10-11-18(22(23,24)25)26-20(16)28/h3-12,19H,1-2H3,(H,26,28)(H,27,29)
InChIKeyUERVSQPABYYQES-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464403) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464403
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC NameN-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3/c1-13-8-9-15(17(12-13)30-2)19(14-6-4-3-5-7-14)27-21(29)16-10-11-18(22(23,24)25)26-20(16)28/h3-12,19H,1-2H3,(H,26,28)(H,27,29)
InChIKeyUERVSQPABYYQES-UHFFFAOYSA-N
XLogP4.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464403) is N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1cc(C)ccc1C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UERVSQPABYYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-13-8-9-15(17(12-13)30-2)19(14-6-4-3-5-7-14)27-21(29)16-10-11-18(22(23,24)25)26-20(16)28/h3-12,19H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).