3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine

C14H24FN3O2S — CID 105390125

IUPAC3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)CCS(C)(=O)=O)c1F
InChIInChI=1S/C14H24FN3O2S/c1-11(2)9-16-10-12-5-6-17-14(13(12)15)18(3)7-8-21(4,19)20/h5-6,11,16H,7-10H2,1-4H3
InChIKeySFUZOEQNRBCKNN-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.45
Rot. Bonds8

About 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine

3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 105390125) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID105390125
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC Name3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)CCS(C)(=O)=O)c1F
InChIInChI=1S/C14H24FN3O2S/c1-11(2)9-16-10-12-5-6-17-14(13(12)15)18(3)7-8-21(4,19)20/h5-6,11,16H,7-10H2,1-4H3
InChIKeySFUZOEQNRBCKNN-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 105390125) is 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine is CC(C)CNCc1ccnc(N(C)CCS(C)(=O)=O)c1F.
What is the InChIKey of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is SFUZOEQNRBCKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-11(2)9-16-10-12-5-6-17-14(13(12)15)18(3)7-8-21(4,19)20/h5-6,11,16H,7-10H2,1-4H3.
What are the key properties of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine?
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 317.43 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 105390125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).