N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide

C17H22N2O2S — CID 167555825

IUPACN-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
SMILESO=C(CC1Sc2ncccc2CC1=O)NCC1CCCCC1
InChIInChI=1S/C17H22N2O2S/c20-14-9-13-7-4-8-18-17(13)22-15(14)10-16(21)19-11-12-5-2-1-3-6-12/h4,7-8,12,15H,1-3,5-6,9-11H2,(H,19,21)
InChIKeyZXARHYWJOOEDPL-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.75
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide

N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide (PubChem CID 167555825) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
PubChem CID167555825
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
SMILESO=C(CC1Sc2ncccc2CC1=O)NCC1CCCCC1
InChIInChI=1S/C17H22N2O2S/c20-14-9-13-7-4-8-18-17(13)22-15(14)10-16(21)19-11-12-5-2-1-3-6-12/h4,7-8,12,15H,1-3,5-6,9-11H2,(H,19,21)
InChIKeyZXARHYWJOOEDPL-UHFFFAOYSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide (CID 167555825) is N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide is O=C(CC1Sc2ncccc2CC1=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
The InChIKey is ZXARHYWJOOEDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-14-9-13-7-4-8-18-17(13)22-15(14)10-16(21)19-11-12-5-2-1-3-6-12/h4,7-8,12,15H,1-3,5-6,9-11H2,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 167555825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).