N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide

C19H21F3N4O4 — CID 118017050

IUPACN-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide
SMILESCC(=O)Nc1cc(C(C)NC(=O)c2cc(C)c(OCCOC(F)(F)F)cn2)ccn1
InChIInChI=1S/C19H21F3N4O4/c1-11-8-15(24-10-16(11)29-6-7-30-19(20,21)22)18(28)25-12(2)14-4-5-23-17(9-14)26-13(3)27/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,28)(H,23,26,27)
InChIKeyCZPQYAMEDVFPIY-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.15
Rot. Bonds8

About N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide

N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide (PubChem CID 118017050) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide
PubChem CID118017050
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC NameN-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide
SMILESCC(=O)Nc1cc(C(C)NC(=O)c2cc(C)c(OCCOC(F)(F)F)cn2)ccn1
InChIInChI=1S/C19H21F3N4O4/c1-11-8-15(24-10-16(11)29-6-7-30-19(20,21)22)18(28)25-12(2)14-4-5-23-17(9-14)26-13(3)27/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,28)(H,23,26,27)
InChIKeyCZPQYAMEDVFPIY-UHFFFAOYSA-N
XLogP3.15
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide (CID 118017050) is N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide is CC(=O)Nc1cc(C(C)NC(=O)c2cc(C)c(OCCOC(F)(F)F)cn2)ccn1.
What is the InChIKey of N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide?
The InChIKey is CZPQYAMEDVFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4/c1-11-8-15(24-10-16(11)29-6-7-30-19(20,21)22)18(28)25-12(2)14-4-5-23-17(9-14)26-13(3)27/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,28)(H,23,26,27).
What are the key properties of N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide?
N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetamido-4-pyridinyl)ethyl]-4-methyl-5-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 118017050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).