N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide

C12H15FN2O — CID 170489742

IUPACN-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccnc(F)c1C
InChIInChI=1S/C12H15FN2O/c1-9-11(6-8-15-12(9)13)5-3-4-7-14-10(2)16/h3,5-6,8H,4,7H2,1-2H3,(H,14,16)
InChIKeyPERRNAJLRNXCIK-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.07
Rot. Bonds4

About N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide

N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide (PubChem CID 170489742) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide
PubChem CID170489742
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccnc(F)c1C
InChIInChI=1S/C12H15FN2O/c1-9-11(6-8-15-12(9)13)5-3-4-7-14-10(2)16/h3,5-6,8H,4,7H2,1-2H3,(H,14,16)
InChIKeyPERRNAJLRNXCIK-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170488142
N-[4-(2-chloro-4-fluoro-3-methylphenyl)but-3-enyl]acetamide
CID 170488494
N-[4-(3-amino-5-fluoro-2-methylphenyl)but-3-enyl]acetamide
CID 170488686
N-[4-(3-chloro-4-pyridinyl)but-3-enyl]acetamide
CID 170488130
3-(4-acetamidobut-1-enyl)-2-methylbenzoic acid
CID 170488958
N-[4-(2,5-difluoro-4-formylphenyl)but-3-enyl]acetamide
CID 170488999
N-[4-(4-amino-2,3-difluorophenyl)but-3-enyl]acetamide
CID 170488730
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide
CID 170488049
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488274
N-[4-(4-amino-2,5-dimethylphenyl)but-3-enyl]acetamide
CID 170488702

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide (CID 170489742) is N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccnc(F)c1C.
What is the InChIKey of N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide?
The InChIKey is PERRNAJLRNXCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-11(6-8-15-12(9)13)5-3-4-7-14-10(2)16/h3,5-6,8H,4,7H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide?
N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide has a molecular weight of 222.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide is sourced from PubChem (CID 170489742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).