3-methyl-N-(1-methylindazol-6-yl)butanamide

C13H17N3O — CID 110460673

IUPAC3-methyl-N-(1-methylindazol-6-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C13H17N3O/c1-9(2)6-13(17)15-11-5-4-10-8-14-16(3)12(10)7-11/h4-5,7-9H,6H2,1-3H3,(H,15,17)
InChIKeyPNSPZGXWBUGUIO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.56
Rot. Bonds3

About 3-methyl-N-(1-methylindazol-6-yl)butanamide

3-methyl-N-(1-methylindazol-6-yl)butanamide (PubChem CID 110460673) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-N-(1-methylindazol-6-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylindazol-6-yl)butanamide
PubChem CID110460673
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-N-(1-methylindazol-6-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C13H17N3O/c1-9(2)6-13(17)15-11-5-4-10-8-14-16(3)12(10)7-11/h4-5,7-9H,6H2,1-3H3,(H,15,17)
InChIKeyPNSPZGXWBUGUIO-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethylindazol-6-amine
CID 23544368
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
4-amino-N-(1-propan-2-ylindazol-6-yl)butanamide
CID 119308053
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide
CID 166276677
N-(1-methylindazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110462131
N-(1-ethylindazol-6-yl)-2-(methylamino)acetamide;hydrochloride
CID 119752857
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylindazol-6-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-methylindazol-6-yl)butanamide (CID 110460673) is 3-methyl-N-(1-methylindazol-6-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-methylindazol-6-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-methylindazol-6-yl)butanamide is CC(C)CC(=O)Nc1ccc2cnn(C)c2c1.
What is the InChIKey of 3-methyl-N-(1-methylindazol-6-yl)butanamide?
The InChIKey is PNSPZGXWBUGUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)6-13(17)15-11-5-4-10-8-14-16(3)12(10)7-11/h4-5,7-9H,6H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-N-(1-methylindazol-6-yl)butanamide?
3-methyl-N-(1-methylindazol-6-yl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylindazol-6-yl)butanamide is sourced from PubChem (CID 110460673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).