2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide

C18H20N4O — CID 22933833

IUPAC2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H20N4O/c1-12(2)10-19-18(23)15-5-3-4-6-17(15)21-14-7-8-16-13(9-14)11-20-22-16/h3-9,11-12,21H,10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUEIYVUKMXSTYNZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.69
Rot. Bonds5

About 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide

2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide (PubChem CID 22933833) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide
PubChem CID22933833
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H20N4O/c1-12(2)10-19-18(23)15-5-3-4-6-17(15)21-14-7-8-16-13(9-14)11-20-22-16/h3-9,11-12,21H,10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUEIYVUKMXSTYNZ-UHFFFAOYSA-N
XLogP3.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide (CID 22933833) is 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is UEIYVUKMXSTYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)10-19-18(23)15-5-3-4-6-17(15)21-14-7-8-16-13(9-14)11-20-22-16/h3-9,11-12,21H,10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide?
2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 22933833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).