4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide

C10H9FN2O — CID 170474123

IUPAC4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
SMILESCc1cnc(F)cc1C#CCC(N)=O
InChIInChI=1S/C10H9FN2O/c1-7-6-13-9(11)5-8(7)3-2-4-10(12)14/h5-6H,4H2,1H3,(H2,12,14)
InChIKeySGIJAWZIFRPBQA-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.76
Rot. Bonds1

About 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide

4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide (PubChem CID 170474123) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
PubChem CID170474123
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
SMILESCc1cnc(F)cc1C#CCC(N)=O
InChIInChI=1S/C10H9FN2O/c1-7-6-13-9(11)5-8(7)3-2-4-10(12)14/h5-6H,4H2,1H3,(H2,12,14)
InChIKeySGIJAWZIFRPBQA-UHFFFAOYSA-N
XLogP0.76
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromobut-1-ynyl)-2-fluoro-5-methylpyridine
CID 170467159
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile
CID 170475878
4-(4,5-diamino-2-methylphenyl)but-3-ynamide
CID 170472996
4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
CID 170473161
4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
CID 170472760
4-(5-bromo-2-methylphenyl)but-3-ynamide
CID 170474091
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
4-(2-fluoropyrimidin-5-yl)but-3-ynamide
CID 170472464
4-(2,6-difluoro-4-pyridinyl)but-3-ynamide
CID 170474131
4-(2-methyl-1H-imidazol-5-yl)but-3-ynamide
CID 170472428
4-(2-methyl-5-nitrophenyl)but-3-ynamide
CID 170473498
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide (CID 170474123) is 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide is Cc1cnc(F)cc1C#CCC(N)=O.
What is the InChIKey of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide?
The InChIKey is SGIJAWZIFRPBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7-6-13-9(11)5-8(7)3-2-4-10(12)14/h5-6H,4H2,1H3,(H2,12,14).
What are the key properties of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide?
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide has a molecular weight of 192.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170474123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).