N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide

C12H18FN3O3S — CID 115497535

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
SMILESCCN(CCCNC(=O)c1cccc(F)n1)S(C)(=O)=O
InChIInChI=1S/C12H18FN3O3S/c1-3-16(20(2,18)19)9-5-8-14-12(17)10-6-4-7-11(13)15-10/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,17)
InChIKeyFNLWYAIXPROJLA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.62
Rot. Bonds7

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115497535) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
PubChem CID115497535
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
SMILESCCN(CCCNC(=O)c1cccc(F)n1)S(C)(=O)=O
InChIInChI=1S/C12H18FN3O3S/c1-3-16(20(2,18)19)9-5-8-14-12(17)10-6-4-7-11(13)15-10/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,17)
InChIKeyFNLWYAIXPROJLA-UHFFFAOYSA-N
XLogP0.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide (CID 115497535) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide is CCN(CCCNC(=O)c1cccc(F)n1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is FNLWYAIXPROJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-3-16(20(2,18)19)9-5-8-14-12(17)10-6-4-7-11(13)15-10/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).