2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide

C13H18N4O — CID 76887328

IUPAC2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H18N4O/c1-13(2,3)11(14)12(18)16-9-5-4-6-10-8(9)7-15-17-10/h4-7,11H,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYFODOXWYXGZGRN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide

2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide (PubChem CID 76887328) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
PubChem CID76887328
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H18N4O/c1-13(2,3)11(14)12(18)16-9-5-4-6-10-8(9)7-15-17-10/h4-7,11H,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYFODOXWYXGZGRN-UHFFFAOYSA-N
XLogP1.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
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N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide (CID 76887328) is 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide?
The InChIKey is YFODOXWYXGZGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)11(14)12(18)16-9-5-4-6-10-8(9)7-15-17-10/h4-7,11H,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide?
2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76887328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).