N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C20H18N4OS — CID 46962969

IUPACN-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1
InChIInChI=1S/C20H18N4OS/c1-14(15-6-9-21-10-7-15)23-19(25)13-24-17(18-5-3-11-26-18)12-16-4-2-8-22-20(16)24/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyADRGOTOXLFDIDK-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.04
Rot. Bonds5

About N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 46962969) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID46962969
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1
InChIInChI=1S/C20H18N4OS/c1-14(15-6-9-21-10-7-15)23-19(25)13-24-17(18-5-3-11-26-18)12-16-4-2-8-22-20(16)24/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyADRGOTOXLFDIDK-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676126
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 51495694
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 46962980
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676186
N-(1-naphthalen-2-ylethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 46599170
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907262
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 17469446
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761641
N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]naphthalene-2-carboxamide
CID 2472244

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 46962969) is N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is CC(NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is ADRGOTOXLFDIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14(15-6-9-21-10-7-15)23-19(25)13-24-17(18-5-3-11-26-18)12-16-4-2-8-22-20(16)24/h2-12,14H,13H2,1H3,(H,23,25).
What are the key properties of N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 46962969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).