N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide

C16H17N3O2S — CID 121021650

IUPACN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESCn1ccc2ccn(CCNC(=O)Cc3ccsc3)c(=O)c21
InChIInChI=1S/C16H17N3O2S/c1-18-6-2-13-3-7-19(16(21)15(13)18)8-5-17-14(20)10-12-4-9-22-11-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,20)
InChIKeyFRWLRCUSNKJMDE-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide

N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 121021650) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID121021650
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESCn1ccc2ccn(CCNC(=O)Cc3ccsc3)c(=O)c21
InChIInChI=1S/C16H17N3O2S/c1-18-6-2-13-3-7-19(16(21)15(13)18)8-5-17-14(20)10-12-4-9-22-11-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,20)
InChIKeyFRWLRCUSNKJMDE-UHFFFAOYSA-N
XLogP1.76
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119104482
N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 121021632
N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164211
N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164200
N-[(E)-pent-3-enyl]-2-thiophen-3-ylacetamide
CID 115628042
methyl 3-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylsulfamoyl]thiophene-2-carboxylate
CID 121193277
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
N-(6-bromohexyl)-2-thiophen-3-ylacetamide
CID 107847604
N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-thiophen-3-ylacetamide
CID 17391418
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide (CID 121021650) is N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide is Cn1ccc2ccn(CCNC(=O)Cc3ccsc3)c(=O)c21.
What is the InChIKey of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is FRWLRCUSNKJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-18-6-2-13-3-7-19(16(21)15(13)18)8-5-17-14(20)10-12-4-9-22-11-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide?
N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 315.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-thiophen-3-ylacetamide is sourced from PubChem (CID 121021650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).