2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide

C13H17N3O2 — CID 110210678

IUPAC2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide
SMILESCCC(C)C(=O)Nc1ccc2c(c1)c(=O)[nH]n2C
InChIInChI=1S/C13H17N3O2/c1-4-8(2)12(17)14-9-5-6-11-10(7-9)13(18)15-16(11)3/h5-8H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyINJLRXDVIMLDKL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide

2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide (PubChem CID 110210678) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide
PubChem CID110210678
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide
SMILESCCC(C)C(=O)Nc1ccc2c(c1)c(=O)[nH]n2C
InChIInChI=1S/C13H17N3O2/c1-4-8(2)12(17)14-9-5-6-11-10(7-9)13(18)15-16(11)3/h5-8H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyINJLRXDVIMLDKL-UHFFFAOYSA-N
XLogP1.85
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 62728074
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide?
The IUPAC name of 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide (CID 110210678) is 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide?
The canonical SMILES for 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide is CCC(C)C(=O)Nc1ccc2c(c1)c(=O)[nH]n2C.
What is the InChIKey of 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide?
The InChIKey is INJLRXDVIMLDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-8(2)12(17)14-9-5-6-11-10(7-9)13(18)15-16(11)3/h5-8H,4H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide?
2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide has a molecular weight of 247.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide is sourced from PubChem (CID 110210678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).