N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide

C16H13F3N2O3 — CID 144580203

IUPACN-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide
SMILESCOc1ccc(C(=O)CNC=O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O3/c1-24-14-7-6-12(13(23)8-20-9-22)21-15(14)10-2-4-11(5-3-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyASOPXZNPTFZTMG-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide

N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide (PubChem CID 144580203) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide
PubChem CID144580203
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide
SMILESCOc1ccc(C(=O)CNC=O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O3/c1-24-14-7-6-12(13(23)8-20-9-22)21-15(14)10-2-4-11(5-3-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyASOPXZNPTFZTMG-UHFFFAOYSA-N
XLogP2.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide?
The IUPAC name of N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide (CID 144580203) is N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide?
The canonical SMILES for N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide is COc1ccc(C(=O)CNC=O)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide?
The InChIKey is ASOPXZNPTFZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-24-14-7-6-12(13(23)8-20-9-22)21-15(14)10-2-4-11(5-3-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,20,22).
What are the key properties of N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide?
N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide has a molecular weight of 338.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide is sourced from PubChem (CID 144580203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).