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

C11H13N5O3 — CID 112551049

IUPACN-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NOCC(N)=O)cc12
InChIInChI=1S/C11H13N5O3/c1-6-8-3-7(4-13-10(8)16(2)14-6)11(18)15-19-5-9(12)17/h3-4H,5H2,1-2H3,(H2,12,17)(H,15,18)
InChIKeyFHTICNJDIWDOSD-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.58
Rot. Bonds4

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

N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 112551049) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID112551049
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NOCC(N)=O)cc12
InChIInChI=1S/C11H13N5O3/c1-6-8-3-7(4-13-10(8)16(2)14-6)11(18)15-19-5-9(12)17/h3-4H,5H2,1-2H3,(H2,12,17)(H,15,18)
InChIKeyFHTICNJDIWDOSD-UHFFFAOYSA-N
XLogP-0.58
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
CID 43409851
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-2-methylpropanoate
CID 43074404
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78903339
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
[2-(diethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46519914

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 112551049) is N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NOCC(N)=O)cc12.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is FHTICNJDIWDOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-6-8-3-7(4-13-10(8)16(2)14-6)11(18)15-19-5-9(12)17/h3-4H,5H2,1-2H3,(H2,12,17)(H,15,18).
What are the key properties of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 263.26 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 112551049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).