N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide

C19H16N6O2S — CID 70663394

IUPACN-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H16N6O2S/c1-24(28(26,27)18-5-3-9-21-13-18)23-12-17-11-22-19-7-6-16(14-25(17)19)15-4-2-8-20-10-15/h2-14H,1H3
InChIKeyMSLWTUVVWISYIH-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.45
Rot. Bonds5

About N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide

N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide (PubChem CID 70663394) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide
PubChem CID70663394
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H16N6O2S/c1-24(28(26,27)18-5-3-9-21-13-18)23-12-17-11-22-19-7-6-16(14-25(17)19)15-4-2-8-20-10-15/h2-14H,1H3
InChIKeyMSLWTUVVWISYIH-UHFFFAOYSA-N
XLogP2.45
TPSA92.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide (CID 70663394) is N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide is CN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide?
The InChIKey is MSLWTUVVWISYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-24(28(26,27)18-5-3-9-21-13-18)23-12-17-11-22-19-7-6-16(14-25(17)19)15-4-2-8-20-10-15/h2-14H,1H3.
What are the key properties of N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide?
N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide is sourced from PubChem (CID 70663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).