1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone

C17H20N2O — CID 116613833

IUPAC1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)c2ncccc2N)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)13-8-6-12(7-9-13)11-15(20)16-14(18)5-4-10-19-16/h4-10H,11,18H2,1-3H3
InChIKeyGTIMWIMJJHRUKV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone

1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone (PubChem CID 116613833) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
PubChem CID116613833
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)c2ncccc2N)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)13-8-6-12(7-9-13)11-15(20)16-14(18)5-4-10-19-16/h4-10H,11,18H2,1-3H3
InChIKeyGTIMWIMJJHRUKV-UHFFFAOYSA-N
XLogP3.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzoylpyridine
CID 7038
6-(Phenylamino)-5,8-quinolinedione
CID 3976
Bupicomide
CID 31447
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
Aminopyridine N-oxide, 34
CID 44249910
Aminopyridine N-oxide, 36
CID 44249911
N-(3-acetylphenyl)pyrazine-2-carboxamide
CID 862105

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone?
The IUPAC name of 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone (CID 116613833) is 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone is CC(C)(C)c1ccc(CC(=O)c2ncccc2N)cc1.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone?
The InChIKey is GTIMWIMJJHRUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)13-8-6-12(7-9-13)11-15(20)16-14(18)5-4-10-19-16/h4-10H,11,18H2,1-3H3.
What are the key properties of 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone?
1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone is sourced from PubChem (CID 116613833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).