N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C13H18N4O3 — CID 66168311

IUPACN-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCC(C)(O)CO)cc12
InChIInChI=1S/C13H18N4O3/c1-8-10-4-9(5-14-11(10)17(3)16-8)12(19)15-6-13(2,20)7-18/h4-5,18,20H,6-7H2,1-3H3,(H,15,19)
InChIKeyOBJYADKMUHHIKE-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.25
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 66168311) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID66168311
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCC(C)(O)CO)cc12
InChIInChI=1S/C13H18N4O3/c1-8-10-4-9(5-14-11(10)17(3)16-8)12(19)15-6-13(2,20)7-18/h4-5,18,20H,6-7H2,1-3H3,(H,15,19)
InChIKeyOBJYADKMUHHIKE-UHFFFAOYSA-N
XLogP-0.25
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 66168311) is N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCC(C)(O)CO)cc12.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OBJYADKMUHHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-10-4-9(5-14-11(10)17(3)16-8)12(19)15-6-13(2,20)7-18/h4-5,18,20H,6-7H2,1-3H3,(H,15,19).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 66168311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).