N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C15H20N4O3 — CID 136522037

IUPACN-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(=O)c(C(=O)NC3CCOC(C)(C)C3)c[nH]c21
InChIInChI=1S/C15H20N4O3/c1-15(2)6-9(4-5-22-15)18-14(21)11-7-16-13-10(12(11)20)8-17-19(13)3/h7-9H,4-6H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyGSEPZZLTGKKBSJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.95
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 136522037) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID136522037
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(=O)c(C(=O)NC3CCOC(C)(C)C3)c[nH]c21
InChIInChI=1S/C15H20N4O3/c1-15(2)6-9(4-5-22-15)18-14(21)11-7-16-13-10(12(11)20)8-17-19(13)3/h7-9H,4-6H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyGSEPZZLTGKKBSJ-UHFFFAOYSA-N
XLogP0.95
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
N-[(4R)-2,2-dimethyloxan-4-yl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 96544276
5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 45249695
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 122132655
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
CID 83039941
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
4-amino-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-carboxamide
CID 83027249
2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-oxoisoquinoline-4-carboxamide
CID 95859443
N-(2,2-dimethyloxan-4-yl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 56763270
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 136522037) is N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cn1ncc2c(=O)c(C(=O)NC3CCOC(C)(C)C3)c[nH]c21.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GSEPZZLTGKKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-15(2)6-9(4-5-22-15)18-14(21)11-7-16-13-10(12(11)20)8-17-19(13)3/h7-9H,4-6H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 136522037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).