2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide

C21H19N3O2S — CID 53164237

IUPAC2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)NCc1cccs1
InChIInChI=1S/C21H19N3O2S/c25-19(22-13-18-7-4-12-27-18)15-24-11-9-17-8-10-23(20(17)21(24)26)14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,22,25)
InChIKeyRXSUEYPZBBHMJR-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.23
Rot. Bonds6

About 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 53164237) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID53164237
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)NCc1cccs1
InChIInChI=1S/C21H19N3O2S/c25-19(22-13-18-7-4-12-27-18)15-24-11-9-17-8-10-23(20(17)21(24)26)14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,22,25)
InChIKeyRXSUEYPZBBHMJR-UHFFFAOYSA-N
XLogP3.23
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 15994205
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
CID 52906421
N-[(2-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164249
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
CID 166596703
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 52906420
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53143483

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 53164237) is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)NCc1cccs1.
What is the InChIKey of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RXSUEYPZBBHMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-19(22-13-18-7-4-12-27-18)15-24-11-9-17-8-10-23(20(17)21(24)26)14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,22,25).
What are the key properties of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 53164237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).