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

C22H25FN4O2S — CID 25120571

IUPACN-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)ccc12
InChIInChI=1S/C22H25FN4O2S/c1-16-20-6-7-22(26-21(20)8-11-24-16)25-12-15-27-13-9-19(10-14-27)30(28,29)18-4-2-17(23)3-5-18/h2-8,11,19H,9-10,12-15H2,1H3,(H,25,26)
InChIKeyCXQKCLNOOIQQME-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.43
Rot. Bonds6

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

N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine (PubChem CID 25120571) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
PubChem CID25120571
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC NameN-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)ccc12
InChIInChI=1S/C22H25FN4O2S/c1-16-20-6-7-22(26-21(20)8-11-24-16)25-12-15-27-13-9-19(10-14-27)30(28,29)18-4-2-17(23)3-5-18/h2-8,11,19H,9-10,12-15H2,1H3,(H,25,26)
InChIKeyCXQKCLNOOIQQME-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-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine (CID 25120571) is N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine is Cc1nccc2nc(NCCN3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)ccc12.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The InChIKey is CXQKCLNOOIQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-16-20-6-7-22(26-21(20)8-11-24-16)25-12-15-27-13-9-19(10-14-27)30(28,29)18-4-2-17(23)3-5-18/h2-8,11,19H,9-10,12-15H2,1H3,(H,25,26).
What are the key properties of N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
N-[2-[4-(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-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine is sourced from PubChem (CID 25120571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).