N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide

C17H17FN2O2 — CID 84594591

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)nc1C
InChIInChI=1S/C17H17FN2O2/c1-11-16(12(2)21)7-6-15(20-11)10-19-17(22)9-13-4-3-5-14(18)8-13/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyVJIFQCXANSNEKR-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.59
Rot. Bonds5

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 84594591) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID84594591
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)nc1C
InChIInChI=1S/C17H17FN2O2/c1-11-16(12(2)21)7-6-15(20-11)10-19-17(22)9-13-4-3-5-14(18)8-13/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyVJIFQCXANSNEKR-UHFFFAOYSA-N
XLogP2.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(1,3-oxazol-4-ylmethyl)acetamide
CID 110718968
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 75435887
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-(3-fluorophenyl)-N-[2-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 55851828
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide
CID 166250565
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 87043554
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide (CID 84594591) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide is CC(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)nc1C.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is VJIFQCXANSNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-16(12(2)21)7-6-15(20-11)10-19-17(22)9-13-4-3-5-14(18)8-13/h3-8H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 84594591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).