2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide

C21H20N4O — CID 167775564

IUPAC2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide
SMILESNC(C(=O)Nc1cccc(-c2cncnc2)c1)C1CCc2ccccc21
InChIInChI=1S/C21H20N4O/c22-20(19-9-8-14-4-1-2-7-18(14)19)21(26)25-17-6-3-5-15(10-17)16-11-23-13-24-12-16/h1-7,10-13,19-20H,8-9,22H2,(H,25,26)
InChIKeyABKOFPLMQAWZJW-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.14
Rot. Bonds4

About 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide

2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide (PubChem CID 167775564) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide
PubChem CID167775564
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide
SMILESNC(C(=O)Nc1cccc(-c2cncnc2)c1)C1CCc2ccccc21
InChIInChI=1S/C21H20N4O/c22-20(19-9-8-14-4-1-2-7-18(14)19)21(26)25-17-6-3-5-15(10-17)16-11-23-13-24-12-16/h1-7,10-13,19-20H,8-9,22H2,(H,25,26)
InChIKeyABKOFPLMQAWZJW-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(3-pyrimidin-5-ylphenyl)urea
CID 142783216
2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol
CID 65409603
3-oxo-N-(3-pyrimidin-5-ylphenyl)butanamide
CID 110460628
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
3-methyl-5-oxo-1-phenyl-N-(3-pyrimidin-5-ylphenyl)-4H-pyrazole-4-carboxamide
CID 139433221
ethyl 2-[[1-oxo-3-phenyl-1-(3-pyrimidin-5-ylanilino)propan-2-yl]amino]acetate;hydrochloride
CID 67497534
[pyrimidin-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218815
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(3-fluorophenyl)propanamide
CID 42883500
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
CID 110467649

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide?
The IUPAC name of 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide (CID 167775564) is 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide.
What is the SMILES notation for 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide?
The canonical SMILES for 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide is NC(C(=O)Nc1cccc(-c2cncnc2)c1)C1CCc2ccccc21.
What is the InChIKey of 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide?
The InChIKey is ABKOFPLMQAWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-20(19-9-8-14-4-1-2-7-18(14)19)21(26)25-17-6-3-5-15(10-17)16-11-23-13-24-12-16/h1-7,10-13,19-20H,8-9,22H2,(H,25,26).
What are the key properties of 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide?
2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide is sourced from PubChem (CID 167775564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).