N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C19H18F3N3O2 — CID 119104482

IUPACN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccc2ccn(CCNC(=O)Cc3cccc(C(F)(F)F)c3)c(=O)c21
InChIInChI=1S/C19H18F3N3O2/c1-24-8-5-14-6-9-25(18(27)17(14)24)10-7-23-16(26)12-13-3-2-4-15(11-13)19(20,21)22/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,26)
InChIKeyBTHBVXNJQAMRDJ-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 119104482) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID119104482
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccc2ccn(CCNC(=O)Cc3cccc(C(F)(F)F)c3)c(=O)c21
InChIInChI=1S/C19H18F3N3O2/c1-24-8-5-14-6-9-25(18(27)17(14)24)10-7-23-16(26)12-13-3-2-4-15(11-13)19(20,21)22/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,26)
InChIKeyBTHBVXNJQAMRDJ-UHFFFAOYSA-N
XLogP2.72
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide
CID 121021650
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122244813
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26895390
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 116557886
N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111268454
N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
CID 78786742

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 119104482) is N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cn1ccc2ccn(CCNC(=O)Cc3cccc(C(F)(F)F)c3)c(=O)c21.
What is the InChIKey of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BTHBVXNJQAMRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24-8-5-14-6-9-25(18(27)17(14)24)10-7-23-16(26)12-13-3-2-4-15(11-13)19(20,21)22/h2-6,8-9,11H,7,10,12H2,1H3,(H,23,26).
What are the key properties of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119104482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).