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

C26H22N4O3 — CID 46698480

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C26H22N4O3/c1-15-12-21(17(3)32-15)23-14-22(24-16(2)30-33-26(24)29-23)25(31)28-20-6-4-18(5-7-20)13-19-8-10-27-11-9-19/h4-12,14H,13H2,1-3H3,(H,28,31)
InChIKeyNMZSKXYMZJQAFL-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.65
Rot. Bonds5

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46698480) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46698480
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C26H22N4O3/c1-15-12-21(17(3)32-15)23-14-22(24-16(2)30-33-26(24)29-23)25(31)28-20-6-4-18(5-7-20)13-19-8-10-27-11-9-19/h4-12,14H,13H2,1-3H3,(H,28,31)
InChIKeyNMZSKXYMZJQAFL-UHFFFAOYSA-N
XLogP5.65
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
CID 24615573
N-(3,5-dimethoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42089730
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26065308
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-(propylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24617816
6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55869238
N-[2-(benzylamino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46437325
2-[2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526470
2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-phenoxyethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32934602

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46698480) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NMZSKXYMZJQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-15-12-21(17(3)32-15)23-14-22(24-16(2)30-33-26(24)29-23)25(31)28-20-6-4-18(5-7-20)13-19-8-10-27-11-9-19/h4-12,14H,13H2,1-3H3,(H,28,31).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46698480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).