3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C21H22N4O2S — CID 66655074

IUPAC3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC1CCC(c2c(-c3cccnc3)cc(-c3nccs3)nc2C(N)=O)OC1C
InChIInChI=1S/C21H22N4O2S/c1-12-5-6-17(27-13(12)2)18-15(14-4-3-7-23-11-14)10-16(21-24-8-9-28-21)25-19(18)20(22)26/h3-4,7-13,17H,5-6H2,1-2H3,(H2,22,26)
InChIKeyZCYCPSACFPXEAE-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.24
Rot. Bonds4

About 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 66655074) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID66655074
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC1CCC(c2c(-c3cccnc3)cc(-c3nccs3)nc2C(N)=O)OC1C
InChIInChI=1S/C21H22N4O2S/c1-12-5-6-17(27-13(12)2)18-15(14-4-3-7-23-11-14)10-16(21-24-8-9-28-21)25-19(18)20(22)26/h3-4,7-13,17H,5-6H2,1-2H3,(H2,22,26)
InChIKeyZCYCPSACFPXEAE-UHFFFAOYSA-N
XLogP4.24
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 66655074) is 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is CC1CCC(c2c(-c3cccnc3)cc(-c3nccs3)nc2C(N)=O)OC1C.
What is the InChIKey of 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is ZCYCPSACFPXEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-12-5-6-17(27-13(12)2)18-15(14-4-3-7-23-11-14)10-16(21-24-8-9-28-21)25-19(18)20(22)26/h3-4,7-13,17H,5-6H2,1-2H3,(H2,22,26).
What are the key properties of 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66655074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).