N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide

C19H21N3O2S — CID 70695872

IUPACN-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1
InChIInChI=1S/C19H21N3O2S/c1-12(23)22-16-9-13(5-8-20-16)15-10-14-17(25-15)19(11-21-18(14)24)6-3-2-4-7-19/h5,8-10H,2-4,6-7,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyCDVWUEFATOLRSF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.71
Rot. Bonds2

About N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide

N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide (PubChem CID 70695872) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide
PubChem CID70695872
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1
InChIInChI=1S/C19H21N3O2S/c1-12(23)22-16-9-13(5-8-20-16)15-10-14-17(25-15)19(11-21-18(14)24)6-3-2-4-7-19/h5,8-10H,2-4,6-7,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyCDVWUEFATOLRSF-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide (CID 70695872) is N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)ccn1.
What is the InChIKey of N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide?
The InChIKey is CDVWUEFATOLRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(23)22-16-9-13(5-8-20-16)15-10-14-17(25-15)19(11-21-18(14)24)6-3-2-4-7-19/h5,8-10H,2-4,6-7,11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide?
N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxospiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 70695872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).