6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H26N4O4 — CID 95351429

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C25H26N4O4/c1-15-10-20(17(3)32-15)22-11-21(23-16(2)28-33-24(23)27-22)25(30)29(14-19-7-5-9-31-19)13-18-6-4-8-26-12-18/h4,6,8,10-12,19H,5,7,9,13-14H2,1-3H3/t19-/m1/s1
InChIKeyQVRJLZFSOSOPEO-LJQANCHMSA-N
MW446.51 g/mol
LogP4.62
Rot. Bonds6

About 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 95351429) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID95351429
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C25H26N4O4/c1-15-10-20(17(3)32-15)22-11-21(23-16(2)28-33-24(23)27-22)25(30)29(14-19-7-5-9-31-19)13-18-6-4-8-26-12-18/h4,6,8,10-12,19H,5,7,9,13-14H2,1-3H3/t19-/m1/s1
InChIKeyQVRJLZFSOSOPEO-LJQANCHMSA-N
XLogP4.62
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55505337
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
6-cyclopropyl-N-ethyl-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94822825
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 86824576
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51130599
2-methoxyethyl 2,4-dimethyl-5-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55900285

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 95351429) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QVRJLZFSOSOPEO-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15-10-20(17(3)32-15)22-11-21(23-16(2)28-33-24(23)27-22)25(30)29(14-19-7-5-9-31-19)13-18-6-4-8-26-12-18/h4,6,8,10-12,19H,5,7,9,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95351429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).