N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide

C17H23N3O2 — CID 22510258

IUPACN-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCCC(C)NC(=O)CCCC(=O)n1ncc2cc(C)ccc21
InChIInChI=1S/C17H23N3O2/c1-4-13(3)19-16(21)6-5-7-17(22)20-15-9-8-12(2)10-14(15)11-18-20/h8-11,13H,4-7H2,1-3H3,(H,19,21)
InChIKeyOYMWUMWXZRZQIU-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds6

About N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide

N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510258) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510258
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCCC(C)NC(=O)CCCC(=O)n1ncc2cc(C)ccc21
InChIInChI=1S/C17H23N3O2/c1-4-13(3)19-16(21)6-5-7-17(22)20-15-9-8-12(2)10-14(15)11-18-20/h8-11,13H,4-7H2,1-3H3,(H,19,21)
InChIKeyOYMWUMWXZRZQIU-UHFFFAOYSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide (CID 22510258) is N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide is CCC(C)NC(=O)CCCC(=O)n1ncc2cc(C)ccc21.
What is the InChIKey of N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is OYMWUMWXZRZQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-13(3)19-16(21)6-5-7-17(22)20-15-9-8-12(2)10-14(15)11-18-20/h8-11,13H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide?
N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 301.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(5-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).