N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide

C25H30N6O3S — CID 170324779

IUPACN,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(=O)(=O)N(C)C)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H30N6O3S/c1-17-22(14-28-25-24(17)26-9-11-34-25)31-10-8-19-13-27-23(12-20(19)15-31)29-21-6-4-18(5-7-21)16-35(32,33)30(2)3/h4-7,12-14,26H,8-11,15-16H2,1-3H3,(H,27,29)
InChIKeyQCQUKZUTPLSUEO-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.29
Rot. Bonds6

About N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide

N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide (PubChem CID 170324779) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide
PubChem CID170324779
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC NameN,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(=O)(=O)N(C)C)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H30N6O3S/c1-17-22(14-28-25-24(17)26-9-11-34-25)31-10-8-19-13-27-23(12-20(19)15-31)29-21-6-4-18(5-7-21)16-35(32,33)30(2)3/h4-7,12-14,26H,8-11,15-16H2,1-3H3,(H,27,29)
InChIKeyQCQUKZUTPLSUEO-UHFFFAOYSA-N
XLogP3.29
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide 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,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide (CID 170324779) is N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide is Cc1c(N2CCc3cnc(Nc4ccc(CS(=O)(=O)N(C)C)cc4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
The InChIKey is QCQUKZUTPLSUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-17-22(14-28-25-24(17)26-9-11-34-25)31-10-8-19-13-27-23(12-20(19)15-31)29-21-6-4-18(5-7-21)16-35(32,33)30(2)3/h4-7,12-14,26H,8-11,15-16H2,1-3H3,(H,27,29).
What are the key properties of N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 170324779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).