2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide

C23H27N3O4S — CID 87420038

IUPAC2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide
SMILESCOCC(C)Oc1cc(C(=O)Nc2nc(C)cs2)cc(OC(C)Cc2ccccc2)n1
InChIInChI=1S/C23H27N3O4S/c1-15-14-31-23(24-15)26-22(27)19-11-20(25-21(12-19)30-17(3)13-28-4)29-16(2)10-18-8-6-5-7-9-18/h5-9,11-12,14,16-17H,10,13H2,1-4H3,(H,24,26,27)
InChIKeyATTIWLTVBOIKFK-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.52
Rot. Bonds10

About 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide

2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide (PubChem CID 87420038) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide
PubChem CID87420038
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide
SMILESCOCC(C)Oc1cc(C(=O)Nc2nc(C)cs2)cc(OC(C)Cc2ccccc2)n1
InChIInChI=1S/C23H27N3O4S/c1-15-14-31-23(24-15)26-22(27)19-11-20(25-21(12-19)30-17(3)13-28-4)29-16(2)10-18-8-6-5-7-9-18/h5-9,11-12,14,16-17H,10,13H2,1-4H3,(H,24,26,27)
InChIKeyATTIWLTVBOIKFK-UHFFFAOYSA-N
XLogP4.52
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-1-methoxypropan-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828242
2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87419918
2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 71496472
2-[2-[2-methoxyethyl(methyl)amino]ethoxy]-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828211
2-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 87419945
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 88532254
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902316
ethyl 2-[2-[[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 87420042
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide (CID 87420038) is 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide is COCC(C)Oc1cc(C(=O)Nc2nc(C)cs2)cc(OC(C)Cc2ccccc2)n1.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide?
The InChIKey is ATTIWLTVBOIKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-15-14-31-23(24-15)26-22(27)19-11-20(25-21(12-19)30-17(3)13-28-4)29-16(2)10-18-8-6-5-7-9-18/h5-9,11-12,14,16-17H,10,13H2,1-4H3,(H,24,26,27).
What are the key properties of 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide?
2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 87420038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).