2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide

C13H20FN3OS — CID 105387232

IUPAC2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(C)C(C)CSC)c1F
InChIInChI=1S/C13H20FN3OS/c1-5-15-12-11(14)10(6-7-16-12)13(18)17(3)9(2)8-19-4/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyWVOJLOOYSMNGFJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds6

About 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 105387232) has the molecular formula C13H20FN3OS and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
PubChem CID105387232
Molecular FormulaC13H20FN3OS
Molecular Weight285.39 g/mol
Exact Mass285.13
IUPAC Name2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(C)C(C)CSC)c1F
InChIInChI=1S/C13H20FN3OS/c1-5-15-12-11(14)10(6-7-16-12)13(18)17(3)9(2)8-19-4/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyWVOJLOOYSMNGFJ-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105385519
2-(ethylamino)-3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105385257
N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105385225
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 105384074

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (CID 105387232) is 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is CCNc1nccc(C(=O)N(C)C(C)CSC)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is WVOJLOOYSMNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3OS/c1-5-15-12-11(14)10(6-7-16-12)13(18)17(3)9(2)8-19-4/h6-7,9H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105387232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).