N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

C18H26N4O2 — CID 54582194

IUPACN-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23)
InChIKeyDFNVWYIFMXUJRF-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.17
Rot. Bonds6

About N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 54582194) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
PubChem CID54582194
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23)
InChIKeyDFNVWYIFMXUJRF-UHFFFAOYSA-N
XLogP2.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (CID 54582194) is N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is DFNVWYIFMXUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-methoxy-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 54582194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).