N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine

C22H25FN4O2S — CID 59325232

IUPACN-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCCC(S(=O)(=O)c4ccc(F)cc4)C3)ccc12
InChIInChI=1S/C22H25FN4O2S/c1-16-20-8-9-22(26-21(20)10-11-24-16)25-12-14-27-13-2-3-19(15-27)30(28,29)18-6-4-17(23)5-7-18/h4-11,19H,2-3,12-15H2,1H3,(H,25,26)
InChIKeyRKXGFYLYWPDDGF-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.43
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine

N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine (PubChem CID 59325232) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
PubChem CID59325232
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC NameN-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCCC(S(=O)(=O)c4ccc(F)cc4)C3)ccc12
InChIInChI=1S/C22H25FN4O2S/c1-16-20-8-9-22(26-21(20)10-11-24-16)25-12-14-27-13-2-3-19(15-27)30(28,29)18-6-4-17(23)5-7-18/h4-11,19H,2-3,12-15H2,1H3,(H,25,26)
InChIKeyRKXGFYLYWPDDGF-UHFFFAOYSA-N
XLogP3.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The IUPAC name of N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine (CID 59325232) is N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine is Cc1nccc2nc(NCCN3CCCC(S(=O)(=O)c4ccc(F)cc4)C3)ccc12.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The InChIKey is RKXGFYLYWPDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-16-20-8-9-22(26-21(20)10-11-24-16)25-12-14-27-13-2-3-19(15-27)30(28,29)18-6-4-17(23)5-7-18/h4-11,19H,2-3,12-15H2,1H3,(H,25,26).
What are the key properties of N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine has a molecular weight of 428.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine is sourced from PubChem (CID 59325232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).