N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide

C22H31N5O3S — CID 68624138

IUPACN,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1
InChIInChI=1S/C22H31N5O3S/c1-25(2)31(28,29)19-7-8-21(23-16-19)27-14-10-20-18(17-27)6-9-22(24-20)30-15-5-13-26-11-3-4-12-26/h6-9,16H,3-5,10-15,17H2,1-2H3
InChIKeyFMEHAYRTUAJSTB-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.15
Rot. Bonds8

About N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide

N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide (PubChem CID 68624138) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide
PubChem CID68624138
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC NameN,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1
InChIInChI=1S/C22H31N5O3S/c1-25(2)31(28,29)19-7-8-21(23-16-19)27-14-10-20-18(17-27)6-9-22(24-20)30-15-5-13-26-11-3-4-12-26/h6-9,16H,3-5,10-15,17H2,1-2H3
InChIKeyFMEHAYRTUAJSTB-UHFFFAOYSA-N
XLogP2.15
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide (CID 68624138) is N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1.
What is the InChIKey of N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide?
The InChIKey is FMEHAYRTUAJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-25(2)31(28,29)19-7-8-21(23-16-19)27-14-10-20-18(17-27)6-9-22(24-20)30-15-5-13-26-11-3-4-12-26/h6-9,16H,3-5,10-15,17H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide?
N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide has a molecular weight of 445.59 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 68624138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).