6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide

C16H19N3O3S — CID 118612993

IUPAC6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide
SMILESCc1cc(OCC2CCOC2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C16H19N3O3S/c1-10-5-13(22-8-12-3-4-21-7-12)6-14(17-10)15(20)19-16-18-11(2)9-23-16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyCABJXFCQOSZCJZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.82
Rot. Bonds5

About 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide

6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide (PubChem CID 118612993) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide
PubChem CID118612993
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide
SMILESCc1cc(OCC2CCOC2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C16H19N3O3S/c1-10-5-13(22-8-12-3-4-21-7-12)6-14(17-10)15(20)19-16-18-11(2)9-23-16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyCABJXFCQOSZCJZ-UHFFFAOYSA-N
XLogP2.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide (CID 118612993) is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide is Cc1cc(OCC2CCOC2)cc(C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is CABJXFCQOSZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-5-13(22-8-12-3-4-21-7-12)6-14(17-10)15(20)19-16-18-11(2)9-23-16/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide?
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 118612993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).