N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid

C17H19N3O3S — CID 175273136

IUPACN,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid
SMILESCN(C)c1ccnc2ncccc12.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C10H11N3.C7H8O3S/c1-13(2)9-5-7-12-10-8(9)4-3-6-11-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKeyIHPNLEASDSKPSP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.94
Rot. Bonds2

About N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid

N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid (PubChem CID 175273136) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid.

Molecular Properties

Compound NameN,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid
PubChem CID175273136
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid
SMILESCN(C)c1ccnc2ncccc12.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C10H11N3.C7H8O3S/c1-13(2)9-5-7-12-10-8(9)4-3-6-11-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKeyIHPNLEASDSKPSP-UHFFFAOYSA-N
XLogP2.94
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
methanol;4-methylbenzenesulfonic acid;nickel
CID 162157785
benzene;4-methylbenzenesulfonic acid
CID 22637252
4-methylbenzenesulfonic acid
CID 157221593
lithium;hydride;4-methylbenzenesulfonic acid;pyridine
CID 174906944
CID 6371597
CID 6371597
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
4-methylbenzenesulfonic acid;3-methyl-2-propylpyridine
CID 175852128
azane;4-methylbenzenesulfonic acid;hydrate
CID 87973171
(125I)iodomethane;4-methylbenzenesulfonic acid
CID 158752448
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid?
The IUPAC name of N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid (CID 175273136) is N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid.
What is the SMILES notation for N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid?
The canonical SMILES for N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid is CN(C)c1ccnc2ncccc12.Cc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid?
The InChIKey is IHPNLEASDSKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C7H8O3S/c1-13(2)9-5-7-12-10-8(9)4-3-6-11-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10).
What are the key properties of N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid?
N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid has a molecular weight of 345.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid is sourced from PubChem (CID 175273136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).