N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide

C15H20N4O — CID 10445946

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyVCYDEUCPMLCHGS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds2

About N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide (PubChem CID 10445946) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
PubChem CID10445946
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyVCYDEUCPMLCHGS-UHFFFAOYSA-N
XLogP2.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide (CID 10445946) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide is CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The InChIKey is VCYDEUCPMLCHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide is sourced from PubChem (CID 10445946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).