N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide

C20H21N3O2 — CID 22510283

IUPACN-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCc1nn(C(=O)CCCC(=O)NCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-15-17-10-5-6-11-18(17)23(22-15)20(25)13-7-12-19(24)21-14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3,(H,21,24)
InChIKeyQFFIZZCPUBMVNB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.47
Rot. Bonds6

About N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide

N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510283) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510283
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCc1nn(C(=O)CCCC(=O)NCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-15-17-10-5-6-11-18(17)23(22-15)20(25)13-7-12-19(24)21-14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3,(H,21,24)
InChIKeyQFFIZZCPUBMVNB-UHFFFAOYSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide (CID 22510283) is N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide is Cc1nn(C(=O)CCCC(=O)NCc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is QFFIZZCPUBMVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-17-10-5-6-11-18(17)23(22-15)20(25)13-7-12-19(24)21-14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3,(H,21,24).
What are the key properties of N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide?
N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 335.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).