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

C15H21N5O — CID 119447098

IUPACN-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NCCN1CCNCC1
InChIInChI=1S/C15H21N5O/c21-14(17-6-9-20-7-4-16-5-8-20)10-12-11-19-15-13(12)2-1-3-18-15/h1-3,11,16H,4-10H2,(H,17,21)(H,18,19)
InChIKeyJHHLNABSLFLYHC-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.13
Rot. Bonds5

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

N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 119447098) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID119447098
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NCCN1CCNCC1
InChIInChI=1S/C15H21N5O/c21-14(17-6-9-20-7-4-16-5-8-20)10-12-11-19-15-13(12)2-1-3-18-15/h1-3,11,16H,4-10H2,(H,17,21)(H,18,19)
InChIKeyJHHLNABSLFLYHC-UHFFFAOYSA-N
XLogP0.13
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66410620
4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
CID 166389608
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
2-(4-methylpiperazin-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414470
N-(piperidin-3-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119462262
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;hydrochloride
CID 120994990

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 119447098) is N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ncccc12)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is JHHLNABSLFLYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-14(17-6-9-20-7-4-16-5-8-20)10-12-11-19-15-13(12)2-1-3-18-15/h1-3,11,16H,4-10H2,(H,17,21)(H,18,19).
What are the key properties of N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 119447098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).