N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

C23H16N6O3S — CID 66558114

IUPACN-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncnc(Oc4cccnc4)c3n2)c1)c1ccccc1
InChIInChI=1S/C23H16N6O3S/c30-33(31,19-6-2-1-3-7-19)29-17-11-16(12-25-13-17)20-8-9-21-22(28-20)23(27-15-26-21)32-18-5-4-10-24-14-18/h1-15,29H
InChIKeyYKGJNIYWWIFXST-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.07
Rot. Bonds6

About N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 66558114) has the molecular formula C23H16N6O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID66558114
Molecular FormulaC23H16N6O3S
Molecular Weight456.49 g/mol
Exact Mass456.10
IUPAC NameN-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncnc(Oc4cccnc4)c3n2)c1)c1ccccc1
InChIInChI=1S/C23H16N6O3S/c30-33(31,19-6-2-1-3-7-19)29-17-11-16(12-25-13-17)20-8-9-21-22(28-20)23(27-15-26-21)32-18-5-4-10-24-14-18/h1-15,29H
InChIKeyYKGJNIYWWIFXST-UHFFFAOYSA-N
XLogP4.07
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 66558114) is N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncnc(Oc4cccnc4)c3n2)c1)c1ccccc1.
What is the InChIKey of N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is YKGJNIYWWIFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O3S/c30-33(31,19-6-2-1-3-7-19)29-17-11-16(12-25-13-17)20-8-9-21-22(28-20)23(27-15-26-21)32-18-5-4-10-24-14-18/h1-15,29H.
What are the key properties of N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 456.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyridin-3-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66558114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).