2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide

C14H21N5O — CID 76887987

IUPAC2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
SMILESCc1nn(C)c2ncc(NC(=O)C(N)C(C)(C)C)cc12
InChIInChI=1S/C14H21N5O/c1-8-10-6-9(7-16-12(10)19(5)18-8)17-13(20)11(15)14(2,3)4/h6-7,11H,15H2,1-5H3,(H,17,20)
InChIKeyBBCQKKOOAQPRTK-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide

2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide (PubChem CID 76887987) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
PubChem CID76887987
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
SMILESCc1nn(C)c2ncc(NC(=O)C(N)C(C)(C)C)cc12
InChIInChI=1S/C14H21N5O/c1-8-10-6-9(7-16-12(10)19(5)18-8)17-13(20)11(15)14(2,3)4/h6-7,11H,15H2,1-5H3,(H,17,20)
InChIKeyBBCQKKOOAQPRTK-UHFFFAOYSA-N
XLogP1.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide (CID 76887987) is 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide is Cc1nn(C)c2ncc(NC(=O)C(N)C(C)(C)C)cc12.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide?
The InChIKey is BBCQKKOOAQPRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-8-10-6-9(7-16-12(10)19(5)18-8)17-13(20)11(15)14(2,3)4/h6-7,11H,15H2,1-5H3,(H,17,20).
What are the key properties of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide?
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide has a molecular weight of 275.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76887987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).