N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C19H17F3N2O2 — CID 158778771

IUPACN-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCc1ccc2c(n1)CC=C2NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-26-11-14-6-7-15-16(23-14)8-9-17(15)24-18(25)10-12-2-4-13(5-3-12)19(20,21)22/h2-7,9H,8,10-11H2,1H3,(H,24,25)
InChIKeyIQUOVIZAPHTOPC-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 158778771) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID158778771
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCc1ccc2c(n1)CC=C2NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-26-11-14-6-7-15-16(23-14)8-9-17(15)24-18(25)10-12-2-4-13(5-3-12)19(20,21)22/h2-7,9H,8,10-11H2,1H3,(H,24,25)
InChIKeyIQUOVIZAPHTOPC-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 158778771) is N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is COCc1ccc2c(n1)CC=C2NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IQUOVIZAPHTOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-26-11-14-6-7-15-16(23-14)8-9-17(15)24-18(25)10-12-2-4-13(5-3-12)19(20,21)22/h2-7,9H,8,10-11H2,1H3,(H,24,25).
What are the key properties of N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 158778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).