2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide

C15H16FN3OS — CID 105384074

IUPAC2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(SC)cc2)c1F
InChIInChI=1S/C15H16FN3OS/c1-3-17-14-13(16)12(8-9-18-14)15(20)19-10-4-6-11(21-2)7-5-10/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUQCYUOBCOCKRLK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.63
Rot. Bonds5

About 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide (PubChem CID 105384074) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
PubChem CID105384074
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(SC)cc2)c1F
InChIInChI=1S/C15H16FN3OS/c1-3-17-14-13(16)12(8-9-18-14)15(20)19-10-4-6-11(21-2)7-5-10/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUQCYUOBCOCKRLK-UHFFFAOYSA-N
XLogP3.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
N-(2-chloro-6-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387655
2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 105387592
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
4-(ethylamino)-6-methyl-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 81237833
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide (CID 105384074) is 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2ccc(SC)cc2)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
The InChIKey is UQCYUOBCOCKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-3-17-14-13(16)12(8-9-18-14)15(20)19-10-4-6-11(21-2)7-5-10/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105384074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).