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

C19H18N4O4S — CID 66655218

IUPAC4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(-c2nccs2)cc(C2OCCC(O)C2O)c1-c1cccnc1
InChIInChI=1S/C19H18N4O4S/c20-18(26)15-14(10-2-1-4-21-9-10)11(17-16(25)13(24)3-6-27-17)8-12(23-15)19-22-5-7-28-19/h1-2,4-5,7-9,13,16-17,24-25H,3,6H2,(H2,20,26)
InChIKeyPXDKNNCEMPOKPE-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.55
Rot. Bonds4

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

4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 66655218) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID66655218
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(-c2nccs2)cc(C2OCCC(O)C2O)c1-c1cccnc1
InChIInChI=1S/C19H18N4O4S/c20-18(26)15-14(10-2-1-4-21-9-10)11(17-16(25)13(24)3-6-27-17)8-12(23-15)19-22-5-7-28-19/h1-2,4-5,7-9,13,16-17,24-25H,3,6H2,(H2,20,26)
InChIKeyPXDKNNCEMPOKPE-UHFFFAOYSA-N
XLogP1.55
TPSA131.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

3-(5,6-dimethyloxan-2-yl)-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 66655074
6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
CID 66655602
5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride
CID 175923522
2-amino-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)benzenethiol
CID 144895480
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-2-(1,3-thiazol-2-yl)benzamide
CID 165129066
5-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboximidamide
CID 142785508
3-pyridin-3-ylpyrazine-2-carboxamide
CID 67325612
3-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 140500185
7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine
CID 123823765
3-(4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl)-5-fluoro-4-pyridin-3-ylpyridine-2-carboxamide
CID 66655312
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide
CID 139933693

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 66655218) is 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is NC(=O)c1nc(-c2nccs2)cc(C2OCCC(O)C2O)c1-c1cccnc1.
What is the InChIKey of 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is PXDKNNCEMPOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-18(26)15-14(10-2-1-4-21-9-10)11(17-16(25)13(24)3-6-27-17)8-12(23-15)19-22-5-7-28-19/h1-2,4-5,7-9,13,16-17,24-25H,3,6H2,(H2,20,26).
What are the key properties of 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66655218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).