N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide

C17H26N4O3 — CID 146139009

IUPACN-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
SMILESO=C(CN1CCc2[nH]cnc2C12CCOCC2)NCC1CCCO1
InChIInChI=1S/C17H26N4O3/c22-15(18-10-13-2-1-7-24-13)11-21-6-3-14-16(20-12-19-14)17(21)4-8-23-9-5-17/h12-13H,1-11H2,(H,18,22)(H,19,20)
InChIKeyKFJLKZKKWXPGEN-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.57
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide

N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide (PubChem CID 146139009) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
PubChem CID146139009
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
SMILESO=C(CN1CCc2[nH]cnc2C12CCOCC2)NCC1CCCO1
InChIInChI=1S/C17H26N4O3/c22-15(18-10-13-2-1-7-24-13)11-21-6-3-14-16(20-12-19-14)17(21)4-8-23-9-5-17/h12-13H,1-11H2,(H,18,22)(H,19,20)
InChIKeyKFJLKZKKWXPGEN-UHFFFAOYSA-N
XLogP0.57
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide (CID 146139009) is N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide is O=C(CN1CCc2[nH]cnc2C12CCOCC2)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
The InChIKey is KFJLKZKKWXPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-15(18-10-13-2-1-7-24-13)11-21-6-3-14-16(20-12-19-14)17(21)4-8-23-9-5-17/h12-13H,1-11H2,(H,18,22)(H,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide is sourced from PubChem (CID 146139009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).