2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide

C16H17N3OS — CID 53144477

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)Cc1c[nH]c2ncccc12)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-13(14-6-4-8-21-14)19-15(20)9-11-10-18-16-12(11)5-3-7-17-16/h3-8,10,13H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNXJHJMJLFLNVKN-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.43
Rot. Bonds5

About 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide

2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide (PubChem CID 53144477) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
PubChem CID53144477
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)Cc1c[nH]c2ncccc12)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-13(14-6-4-8-21-14)19-15(20)9-11-10-18-16-12(11)5-3-7-17-16/h3-8,10,13H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNXJHJMJLFLNVKN-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022
N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
CID 119666826
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 66416209
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]acetamide
CID 94194288
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide (CID 53144477) is 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide is CCC(NC(=O)Cc1c[nH]c2ncccc12)c1cccs1.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
The InChIKey is NXJHJMJLFLNVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-13(14-6-4-8-21-14)19-15(20)9-11-10-18-16-12(11)5-3-7-17-16/h3-8,10,13H,2,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide has a molecular weight of 299.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 53144477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).