3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide

C19H20N4O2 — CID 134037635

IUPAC3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)18(25)22-14-6-4-5-12(9-14)17(24)21-15-7-8-16-13(10-15)11-20-23-16/h4-11H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKHEATIHXVQRCDE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.80
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide (PubChem CID 134037635) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
PubChem CID134037635
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)18(25)22-14-6-4-5-12(9-14)17(24)21-15-7-8-16-13(10-15)11-20-23-16/h4-11H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKHEATIHXVQRCDE-UHFFFAOYSA-N
XLogP3.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
5-ethyl-N-(1H-indazol-5-yl)thiophene-3-carboxamide
CID 6467092

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide (CID 134037635) is 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide?
The InChIKey is KHEATIHXVQRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,3)18(25)22-14-6-4-5-12(9-14)17(24)21-15-7-8-16-13(10-15)11-20-23-16/h4-11H,1-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 134037635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).