N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide

C16H22N4O3 — CID 167908250

IUPACN-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide
SMILESCC(=O)N(C)CC(O)CN(C)C(=O)c1ccc2c(C)[nH]nc2c1
InChIInChI=1S/C16H22N4O3/c1-10-14-6-5-12(7-15(14)18-17-10)16(23)20(4)9-13(22)8-19(3)11(2)21/h5-7,13,22H,8-9H2,1-4H3,(H,17,18)
InChIKeyCWFWOZLLZBIKBG-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.78
Rot. Bonds5

About N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide

N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide (PubChem CID 167908250) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide
PubChem CID167908250
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide
SMILESCC(=O)N(C)CC(O)CN(C)C(=O)c1ccc2c(C)[nH]nc2c1
InChIInChI=1S/C16H22N4O3/c1-10-14-6-5-12(7-15(14)18-17-10)16(23)20(4)9-13(22)8-19(3)11(2)21/h5-7,13,22H,8-9H2,1-4H3,(H,17,18)
InChIKeyCWFWOZLLZBIKBG-UHFFFAOYSA-N
XLogP0.78
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide (CID 167908250) is N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide is CC(=O)N(C)CC(O)CN(C)C(=O)c1ccc2c(C)[nH]nc2c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide?
The InChIKey is CWFWOZLLZBIKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-14-6-5-12(7-15(14)18-17-10)16(23)20(4)9-13(22)8-19(3)11(2)21/h5-7,13,22H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide?
N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]-2-hydroxypropyl]-N,3-dimethyl-2H-indazole-6-carboxamide is sourced from PubChem (CID 167908250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).