N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine

C22H27N5O2S — CID 25122702

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine
SMILESCc1cc2nc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2c(C)n1
InChIInChI=1S/C22H27N5O2S/c1-17-16-21-20(18(2)24-17)8-9-22(25-21)23-10-11-26-12-14-27(15-13-26)30(28,29)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,23,25)
InChIKeyNJRTYNLSUHSKTK-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.67
Rot. Bonds6

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine (PubChem CID 25122702) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine
PubChem CID25122702
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine
SMILESCc1cc2nc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2c(C)n1
InChIInChI=1S/C22H27N5O2S/c1-17-16-21-20(18(2)24-17)8-9-22(25-21)23-10-11-26-12-14-27(15-13-26)30(28,29)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,23,25)
InChIKeyNJRTYNLSUHSKTK-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine (CID 25122702) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine is Cc1cc2nc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2c(C)n1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine?
The InChIKey is NJRTYNLSUHSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-17-16-21-20(18(2)24-17)8-9-22(25-21)23-10-11-26-12-14-27(15-13-26)30(28,29)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine has a molecular weight of 425.56 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5,7-dimethyl-1,6-naphthyridin-2-amine is sourced from PubChem (CID 25122702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).