ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide

C10H15FN2O — CID 171522941

IUPACethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
SMILESCC.CC(=O)NCc1ccncc1F
InChIInChI=1S/C8H9FN2O.C2H6/c1-6(12)11-4-7-2-3-10-5-8(7)9;1-2/h2-3,5H,4H2,1H3,(H,11,12);1-2H3
InChIKeyWSTKZJDIYQEUCF-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.88
Rot. Bonds2

About ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide

ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide (PubChem CID 171522941) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
PubChem CID171522941
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Nameethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
SMILESCC.CC(=O)NCc1ccncc1F
InChIInChI=1S/C8H9FN2O.C2H6/c1-6(12)11-4-7-2-3-10-5-8(7)9;1-2/h2-3,5H,4H2,1H3,(H,11,12);1-2H3
InChIKeyWSTKZJDIYQEUCF-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645
N-[(2-fluoro-3-pyridinyl)methyl]acetamide
CID 130400765
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
1-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]-2-methylpropan-1-one
CID 171593904
N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide
CID 7206823

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide?
The IUPAC name of ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide (CID 171522941) is ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide?
The canonical SMILES for ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide is CC.CC(=O)NCc1ccncc1F.
What is the InChIKey of ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide?
The InChIKey is WSTKZJDIYQEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O.C2H6/c1-6(12)11-4-7-2-3-10-5-8(7)9;1-2/h2-3,5H,4H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide?
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide has a molecular weight of 198.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 171522941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).