4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane

C16H24N4O2 — CID 176947846

IUPAC4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane
SMILESCC.CNC(=O)CCC(C=O)c1nn(C)c2cc(N)ccc12
InChIInChI=1S/C14H18N4O2.C2H6/c1-16-13(20)6-3-9(8-19)14-11-5-4-10(15)7-12(11)18(2)17-14;1-2/h4-5,7-9H,3,6,15H2,1-2H3,(H,16,20);1-2H3
InChIKeyCJKXCUFRRYQWCB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.99
Rot. Bonds5

About 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane

4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane (PubChem CID 176947846) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane.

Molecular Properties

Compound Name4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane
PubChem CID176947846
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane
SMILESCC.CNC(=O)CCC(C=O)c1nn(C)c2cc(N)ccc12
InChIInChI=1S/C14H18N4O2.C2H6/c1-16-13(20)6-3-9(8-19)14-11-5-4-10(15)7-12(11)18(2)17-14;1-2/h4-5,7-9H,3,6,15H2,1-2H3,(H,16,20);1-2H3
InChIKeyCJKXCUFRRYQWCB-UHFFFAOYSA-N
XLogP1.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methanol;2-[1-[1-methyl-3-[5-(methylamino)-1,5-dioxopentan-2-yl]indazol-6-yl]piperidin-4-yl]acetic acid
CID 156799215
6-amino-N,1-dimethylindazole-3-carboxamide
CID 59335057
2-(6-ethyl-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;propane
CID 170749039
4-[6-[2-[3-[4-[[5-(2,2-difluoroethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfanylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]-N-methyl-5-oxopentanamide
CID 178017661
4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
CID 82113079
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
CID 63892508
3-(1-fluoroethyl)-1-methylindazole-6-carboxylic acid
CID 84687432
2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
CID 83910246
N-methyl-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-oxopentanamide
CID 166113297
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide
CID 166112823

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane?
The IUPAC name of 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane (CID 176947846) is 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane.
What is the SMILES notation for 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane?
The canonical SMILES for 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane is CC.CNC(=O)CCC(C=O)c1nn(C)c2cc(N)ccc12.
What is the InChIKey of 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane?
The InChIKey is CJKXCUFRRYQWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.C2H6/c1-16-13(20)6-3-9(8-19)14-11-5-4-10(15)7-12(11)18(2)17-14;1-2/h4-5,7-9H,3,6,15H2,1-2H3,(H,16,20);1-2H3.
What are the key properties of 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane?
4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane has a molecular weight of 304.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1-methylindazol-3-yl)-N-methyl-5-oxopentanamide;ethane is sourced from PubChem (CID 176947846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).