2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide

C16H20N4O2 — CID 154800335

IUPAC2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide
SMILESCN(C(=O)Cn1ncc2ccccc21)C1CCCCNC1=O
InChIInChI=1S/C16H20N4O2/c1-19(14-8-4-5-9-17-16(14)22)15(21)11-20-13-7-3-2-6-12(13)10-18-20/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,17,22)
InChIKeyOCKWFRBCBVDHSP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.16
Rot. Bonds3

About 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide

2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 154800335) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide
PubChem CID154800335
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide
SMILESCN(C(=O)Cn1ncc2ccccc21)C1CCCCNC1=O
InChIInChI=1S/C16H20N4O2/c1-19(14-8-4-5-9-17-16(14)22)15(21)11-20-13-7-3-2-6-12(13)10-18-20/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,17,22)
InChIKeyOCKWFRBCBVDHSP-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 100655756
2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid
CID 119172025
2-[3-acetyl-5-(cyclohexylmethylamino)indazol-1-yl]-N-methyl-N-(2-oxo-azacyclotridec-3-yl)acetamide
CID 167682135
(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
CID 99851760
N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
CID 166196584
N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
CID 71864031
cis-(2S,5R)-11-(2-indazol-1-ylacetyl)-5-(1H-indol-3-ylmethyl)-2-methyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione
CID 135088778
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
2-(6-aminoindazol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 54957294
2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
CID 97084407
N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
CID 99775313

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide (CID 154800335) is 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide is CN(C(=O)Cn1ncc2ccccc21)C1CCCCNC1=O.
What is the InChIKey of 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is OCKWFRBCBVDHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19(14-8-4-5-9-17-16(14)22)15(21)11-20-13-7-3-2-6-12(13)10-18-20/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,17,22).
What are the key properties of 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide?
2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 154800335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).