2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide

C11H12FN5OS — CID 105387592

IUPAC2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2nc(C)ns2)c1F
InChIInChI=1S/C11H12FN5OS/c1-3-13-9-8(12)7(4-5-14-9)10(18)16-11-15-6(2)17-19-11/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16,17,18)
InChIKeyLHJJWNNCCYKIKD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.06
Rot. Bonds4

About 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (PubChem CID 105387592) has the molecular formula C11H12FN5OS and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
PubChem CID105387592
Molecular FormulaC11H12FN5OS
Molecular Weight281.32 g/mol
Exact Mass281.07
IUPAC Name2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2nc(C)ns2)c1F
InChIInChI=1S/C11H12FN5OS/c1-3-13-9-8(12)7(4-5-14-9)10(18)16-11-15-6(2)17-19-11/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16,17,18)
InChIKeyLHJJWNNCCYKIKD-UHFFFAOYSA-N
XLogP2.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 105384074
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 105387662
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
N-(2-chloro-6-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387655
2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 105387704
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (CID 105387592) is 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2nc(C)ns2)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is LHJJWNNCCYKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5OS/c1-3-13-9-8(12)7(4-5-14-9)10(18)16-11-15-6(2)17-19-11/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16,17,18).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105387592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).