2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

C16H20N4O — CID 115289811

IUPAC2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(C(=O)C(N)c1cnn(C)c1)C1CCc2ccccc21
InChIInChI=1S/C16H20N4O/c1-19-10-12(9-18-19)15(17)16(21)20(2)14-8-7-11-5-3-4-6-13(11)14/h3-6,9-10,14-15H,7-8,17H2,1-2H3
InChIKeyLJGDNRVNEMCQND-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289811) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289811
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(C(=O)C(N)c1cnn(C)c1)C1CCc2ccccc21
InChIInChI=1S/C16H20N4O/c1-19-10-12(9-18-19)15(17)16(21)20(2)14-8-7-11-5-3-4-6-13(11)14/h3-6,9-10,14-15H,7-8,17H2,1-2H3
InChIKeyLJGDNRVNEMCQND-UHFFFAOYSA-N
XLogP1.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3,3-trimethylbutanamide
CID 103928520
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 115290593
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97089452
2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 62855378
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
CID 114981786
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107842800
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (CID 115289811) is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is CN(C(=O)C(N)c1cnn(C)c1)C1CCc2ccccc21.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is LJGDNRVNEMCQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-10-12(9-18-19)15(17)16(21)20(2)14-8-7-11-5-3-4-6-13(11)14/h3-6,9-10,14-15H,7-8,17H2,1-2H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).