N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide

C16H23N3O2S — CID 136546920

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc3c(n2)CCC3)CC(C)S1=O
InChIInChI=1S/C16H23N3O2S/c1-3-13-10-19(9-11(2)22(13)21)16(20)18-15-8-7-12-5-4-6-14(12)17-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18,20)
InChIKeyCCDMIHXPFIHQLP-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.33
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 136546920) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID136546920
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc3c(n2)CCC3)CC(C)S1=O
InChIInChI=1S/C16H23N3O2S/c1-3-13-10-19(9-11(2)22(13)21)16(20)18-15-8-7-12-5-4-6-14(12)17-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18,20)
InChIKeyCCDMIHXPFIHQLP-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide (CID 136546920) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide is CCC1CN(C(=O)Nc2ccc3c(n2)CCC3)CC(C)S1=O.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is CCDMIHXPFIHQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-13-10-19(9-11(2)22(13)21)16(20)18-15-8-7-12-5-4-6-14(12)17-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-ethyl-6-methyl-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 136546920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).