N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide

C17H20N4O2S — CID 122277375

IUPACN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C17H20N4O2S/c22-16(12-24-14-5-7-18-8-6-14)19-9-10-21-17(23)11-13-3-1-2-4-15(13)20-21/h5-8,11H,1-4,9-10,12H2,(H,19,22)
InChIKeySXBAECNTTIKOOM-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 122277375) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID122277375
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C17H20N4O2S/c22-16(12-24-14-5-7-18-8-6-14)19-9-10-21-17(23)11-13-3-1-2-4-15(13)20-21/h5-8,11H,1-4,9-10,12H2,(H,19,22)
InChIKeySXBAECNTTIKOOM-UHFFFAOYSA-N
XLogP1.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 122277270
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide
CID 122280767
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277144
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122277494
2-(4-nitrophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280460
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122277201
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide
CID 122277487
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide (CID 122277375) is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCCn1nc2c(cc1=O)CCCC2.
What is the InChIKey of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is SXBAECNTTIKOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(12-24-14-5-7-18-8-6-14)19-9-10-21-17(23)11-13-3-1-2-4-15(13)20-21/h5-8,11H,1-4,9-10,12H2,(H,19,22).
What are the key properties of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 344.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 122277375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).