N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide

C18H24N4O2S — CID 164641770

IUPACN-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cnc2c1CCNC21CCOCC1
InChIInChI=1S/C18H24N4O2S/c1-21(11-14-3-2-10-25-14)16(23)12-22-13-19-17-15(22)4-7-20-18(17)5-8-24-9-6-18/h2-3,10,13,20H,4-9,11-12H2,1H3
InChIKeyMQZPHGFKKWQQBL-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 164641770) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID164641770
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cnc2c1CCNC21CCOCC1
InChIInChI=1S/C18H24N4O2S/c1-21(11-14-3-2-10-25-14)16(23)12-22-13-19-17-15(22)4-7-20-18(17)5-8-24-9-6-18/h2-3,10,13,20H,4-9,11-12H2,1H3
InChIKeyMQZPHGFKKWQQBL-UHFFFAOYSA-N
XLogP1.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide (CID 164641770) is N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cn1cnc2c1CCNC21CCOCC1.
What is the InChIKey of N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MQZPHGFKKWQQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21(11-14-3-2-10-25-14)16(23)12-22-13-19-17-15(22)4-7-20-18(17)5-8-24-9-6-18/h2-3,10,13,20H,4-9,11-12H2,1H3.
What are the key properties of N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 164641770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).