N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide

C31H23N3O2S — CID 46090673

IUPACN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)N4c5ccccc5Sc5ccccc54)c3)n2)cc1
InChIInChI=1S/C31H23N3O2S/c1-36-24-18-16-21(17-19-24)25-10-7-11-26(33-25)22-8-6-9-23(20-22)32-31(35)34-27-12-2-4-14-29(27)37-30-15-5-3-13-28(30)34/h2-20H,1H3,(H,32,35)
InChIKeyZTUSLXUGCGLLCE-UHFFFAOYSA-N
MW501.61 g/mol
LogP8.26
Rot. Bonds4

About N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide

N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide (PubChem CID 46090673) has the molecular formula C31H23N3O2S and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
PubChem CID46090673
Molecular FormulaC31H23N3O2S
Molecular Weight501.61 g/mol
Exact Mass501.15
IUPAC NameN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)N4c5ccccc5Sc5ccccc54)c3)n2)cc1
InChIInChI=1S/C31H23N3O2S/c1-36-24-18-16-21(17-19-24)25-10-7-11-26(33-25)22-8-6-9-23(20-22)32-31(35)34-27-12-2-4-14-29(27)37-30-15-5-3-13-28(30)34/h2-20H,1H3,(H,32,35)
InChIKeyZTUSLXUGCGLLCE-UHFFFAOYSA-N
XLogP8.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide (CID 46090673) is N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide is COc1ccc(-c2cccc(-c3cccc(NC(=O)N4c5ccccc5Sc5ccccc54)c3)n2)cc1.
What is the InChIKey of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
The InChIKey is ZTUSLXUGCGLLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O2S/c1-36-24-18-16-21(17-19-24)25-10-7-11-26(33-25)22-8-6-9-23(20-22)32-31(35)34-27-12-2-4-14-29(27)37-30-15-5-3-13-28(30)34/h2-20H,1H3,(H,32,35).
What are the key properties of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide has a molecular weight of 501.61 g/mol, XLogP of 8.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 46090673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).