N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C18H24N4O2 — CID 56892786

IUPACN-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3ccc4cc[nH]c4n3)CC2)O1
InChIInChI=1S/C18H24N4O2/c1-13(23)20-12-15-4-6-18(24-15)7-10-22(11-8-18)16-3-2-14-5-9-19-17(14)21-16/h2-3,5,9,15H,4,6-8,10-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyPPDKSERDDNWTAH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.22
Rot. Bonds3

About N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 56892786) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID56892786
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3ccc4cc[nH]c4n3)CC2)O1
InChIInChI=1S/C18H24N4O2/c1-13(23)20-12-15-4-6-18(24-15)7-10-22(11-8-18)16-3-2-14-5-9-19-17(14)21-16/h2-3,5,9,15H,4,6-8,10-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyPPDKSERDDNWTAH-UHFFFAOYSA-N
XLogP2.22
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 56892786) is N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NCC1CCC2(CCN(c3ccc4cc[nH]c4n3)CC2)O1.
What is the InChIKey of N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is PPDKSERDDNWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(23)20-12-15-4-6-18(24-15)7-10-22(11-8-18)16-3-2-14-5-9-19-17(14)21-16/h2-3,5,9,15H,4,6-8,10-12H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 56892786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).