N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide

C19H16F3N5O2 — CID 59410653

IUPACN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N5O2/c1-11(28)24-5-6-29-17-4-3-12(7-13(17)19(20,21)22)14-8-16-18(15(9-23)26-14)25-10-27(16)2/h3-4,7-8,10H,5-6H2,1-2H3,(H,24,28)
InChIKeyUJKNVKLNELKHMC-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.04
Rot. Bonds5

About N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 59410653) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID59410653
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N5O2/c1-11(28)24-5-6-29-17-4-3-12(7-13(17)19(20,21)22)14-8-16-18(15(9-23)26-14)25-10-27(16)2/h3-4,7-8,10H,5-6H2,1-2H3,(H,24,28)
InChIKeyUJKNVKLNELKHMC-UHFFFAOYSA-N
XLogP3.04
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
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-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 59410653) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is UJKNVKLNELKHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-11(28)24-5-6-29-17-4-3-12(7-13(17)19(20,21)22)14-8-16-18(15(9-23)26-14)25-10-27(16)2/h3-4,7-8,10H,5-6H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide?
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 59410653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).