N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide

C18H21N3O3S — CID 118612938

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
SMILESCc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C18H21N3O3S/c1-10-5-13(24-14-6-11(2)23-8-14)7-15(19-10)17(22)21-18-20-16(9-25-18)12-3-4-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3,(H,20,21,22)/t11-,14-/m1/s1
InChIKeyXOPGXNXJXRXUEC-BXUZGUMPSA-N
MW359.45 g/mol
LogP3.53
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (PubChem CID 118612938) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
PubChem CID118612938
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
SMILESCc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C18H21N3O3S/c1-10-5-13(24-14-6-11(2)23-8-14)7-15(19-10)17(22)21-18-20-16(9-25-18)12-3-4-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3,(H,20,21,22)/t11-,14-/m1/s1
InChIKeyXOPGXNXJXRXUEC-BXUZGUMPSA-N
XLogP3.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (CID 118612938) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Nc2nc(C3CC3)cs2)n1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The InChIKey is XOPGXNXJXRXUEC-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-10-5-13(24-14-6-11(2)23-8-14)7-15(19-10)17(22)21-18-20-16(9-25-18)12-3-4-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3,(H,20,21,22)/t11-,14-/m1/s1.
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 118612938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).