2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide

C16H17F2N3O2 — CID 120621521

IUPAC2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(N)cn1)c1ccccc1OC(F)F
InChIInChI=1S/C16H17F2N3O2/c1-10(13-4-2-3-5-14(13)23-16(17)18)21-15(22)8-12-7-6-11(19)9-20-12/h2-7,9-10,16H,8,19H2,1H3,(H,21,22)
InChIKeyJRXRUYDFIYIFIQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.69
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide

2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 120621521) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID120621521
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(N)cn1)c1ccccc1OC(F)F
InChIInChI=1S/C16H17F2N3O2/c1-10(13-4-2-3-5-14(13)23-16(17)18)21-15(22)8-12-7-6-11(19)9-20-12/h2-7,9-10,16H,8,19H2,1H3,(H,21,22)
InChIKeyJRXRUYDFIYIFIQ-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
2-(5-amino-2-pyridinyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 120622083
2-(5-amino-2-pyridinyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 107339328
2-(5-amino-2-pyridinyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide;hydrochloride
CID 120621940
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120620251

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide (CID 120621521) is 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide is CC(NC(=O)Cc1ccc(N)cn1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is JRXRUYDFIYIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10(13-4-2-3-5-14(13)23-16(17)18)21-15(22)8-12-7-6-11(19)9-20-12/h2-7,9-10,16H,8,19H2,1H3,(H,21,22).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 321.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 120621521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).