2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide

C15H15F2N3O — CID 107337738

IUPAC2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(N)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O/c1-9(10-2-5-13(16)14(17)6-10)20-15(21)7-12-4-3-11(18)8-19-12/h2-6,8-9H,7,18H2,1H3,(H,20,21)
InChIKeyTZDKCNDGWQGHLW-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide

2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide (PubChem CID 107337738) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
PubChem CID107337738
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(N)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O/c1-9(10-2-5-13(16)14(17)6-10)20-15(21)7-12-4-3-11(18)8-19-12/h2-6,8-9H,7,18H2,1H3,(H,20,21)
InChIKeyTZDKCNDGWQGHLW-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 107339328
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513
2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 120617873
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-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120620251
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
2-(5-amino-2-pyridinyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide;hydrochloride
CID 120621940
(2R)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbutanoic acid
CID 107339052
2-(5-amino-2-pyridinyl)-N-(5-hydroxypentan-2-yl)acetamide
CID 107339254

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide (CID 107337738) is 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccc(N)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The InChIKey is TZDKCNDGWQGHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9(10-2-5-13(16)14(17)6-10)20-15(21)7-12-4-3-11(18)8-19-12/h2-6,8-9H,7,18H2,1H3,(H,20,21).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide has a molecular weight of 291.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 107337738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).