N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine

C21H25N5O2S — CID 68594111

IUPACN-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCNCC3S(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C21H25N5O2S/c1-16-18-7-8-20(25-19(18)9-10-23-16)24-12-14-26-13-11-22-15-21(26)29(27,28)17-5-3-2-4-6-17/h2-10,21-22H,11-15H2,1H3,(H,24,25)
InChIKeyOLDOCNADVFAJQT-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine

N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine (PubChem CID 68594111) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
PubChem CID68594111
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCNCC3S(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C21H25N5O2S/c1-16-18-7-8-20(25-19(18)9-10-23-16)24-12-14-26-13-11-22-15-21(26)29(27,28)17-5-3-2-4-6-17/h2-10,21-22H,11-15H2,1H3,(H,24,25)
InChIKeyOLDOCNADVFAJQT-UHFFFAOYSA-N
XLogP2.06
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The IUPAC name of N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine (CID 68594111) is N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine is Cc1nccc2nc(NCCN3CCNCC3S(=O)(=O)c3ccccc3)ccc12.
What is the InChIKey of N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
The InChIKey is OLDOCNADVFAJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-16-18-7-8-20(25-19(18)9-10-23-16)24-12-14-26-13-11-22-15-21(26)29(27,28)17-5-3-2-4-6-17/h2-10,21-22H,11-15H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine?
N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine has a molecular weight of 411.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,6-naphthyridin-2-amine is sourced from PubChem (CID 68594111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).