2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide

C20H28N4O2 — CID 92590906

IUPAC2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c([C@@H]2CCCN(C(C)=O)C2)cc2cccnc21
InChIInChI=1S/C20H28N4O2/c1-4-22(5-2)19(26)14-24-18(12-16-8-6-10-21-20(16)24)17-9-7-11-23(13-17)15(3)25/h6,8,10,12,17H,4-5,7,9,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyPZQGAPKOLVMZHP-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide

2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide (PubChem CID 92590906) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide
PubChem CID92590906
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c([C@@H]2CCCN(C(C)=O)C2)cc2cccnc21
InChIInChI=1S/C20H28N4O2/c1-4-22(5-2)19(26)14-24-18(12-16-8-6-10-21-20(16)24)17-9-7-11-23(13-17)15(3)25/h6,8,10,12,17H,4-5,7,9,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyPZQGAPKOLVMZHP-QGZVFWFLSA-N
XLogP2.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide (CID 92590906) is 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c([C@@H]2CCCN(C(C)=O)C2)cc2cccnc21.
What is the InChIKey of 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide?
The InChIKey is PZQGAPKOLVMZHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-22(5-2)19(26)14-24-18(12-16-8-6-10-21-20(16)24)17-9-7-11-23(13-17)15(3)25/h6,8,10,12,17H,4-5,7,9,11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide?
2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide has a molecular weight of 356.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-acetylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 92590906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).