6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C18H16N4O3S — CID 100729714

IUPAC6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccc(O[C@@H]2CCOC2)nc1
InChIInChI=1S/C18H16N4O3S/c23-17(13-3-4-16(20-9-13)25-14-5-7-24-10-14)22-18-21-15(11-26-18)12-2-1-6-19-8-12/h1-4,6,8-9,11,14H,5,7,10H2,(H,21,22,23)/t14-/m1/s1
InChIKeyGDZZIIFCZAZERQ-CQSZACIVSA-N
MW368.42 g/mol
LogP3.02
Rot. Bonds5

About 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 100729714) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID100729714
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccc(O[C@@H]2CCOC2)nc1
InChIInChI=1S/C18H16N4O3S/c23-17(13-3-4-16(20-9-13)25-14-5-7-24-10-14)22-18-21-15(11-26-18)12-2-1-6-19-8-12/h1-4,6,8-9,11,14H,5,7,10H2,(H,21,22,23)/t14-/m1/s1
InChIKeyGDZZIIFCZAZERQ-CQSZACIVSA-N
XLogP3.02
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17455400
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 17450848
N-(furan-2-ylmethyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730113
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100731047
4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 44993047

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 100729714) is 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(O[C@@H]2CCOC2)nc1.
What is the InChIKey of 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is GDZZIIFCZAZERQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-17(13-3-4-16(20-9-13)25-14-5-7-24-10-14)22-18-21-15(11-26-18)12-2-1-6-19-8-12/h1-4,6,8-9,11,14H,5,7,10H2,(H,21,22,23)/t14-/m1/s1.
What are the key properties of 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-oxolan-3-yl]oxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 100729714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).