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

C30H20FN3OS — CID 46090676

IUPACN-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H20FN3OS/c31-22-17-15-20(16-18-22)24-9-6-10-25(33-24)21-7-5-8-23(19-21)32-30(35)34-26-11-1-3-13-28(26)36-29-14-4-2-12-27(29)34/h1-19H,(H,32,35)
InChIKeyUXACSBKKYMOWSZ-UHFFFAOYSA-N
MW489.58 g/mol
LogP8.39
Rot. Bonds3

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

N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide (PubChem CID 46090676) has the molecular formula C30H20FN3OS and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
PubChem CID46090676
Molecular FormulaC30H20FN3OS
Molecular Weight489.58 g/mol
Exact Mass489.13
IUPAC NameN-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H20FN3OS/c31-22-17-15-20(16-18-22)24-9-6-10-25(33-24)21-7-5-8-23(19-21)32-30(35)34-26-11-1-3-13-28(26)36-29-14-4-2-12-27(29)34/h1-19H,(H,32,35)
InChIKeyUXACSBKKYMOWSZ-UHFFFAOYSA-N
XLogP8.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
CID 46090638
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
CID 27184279
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide
CID 46089627
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]phenothiazine-10-carboxamide
CID 135544715
2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid
CID 90041623
1-(3-fluorophenyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
CID 4050106
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
ethyl 2-chloro-4-(phenothiazine-10-carbonylamino)benzoate
CID 28572191
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide (CID 46090676) is N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide is O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
The InChIKey is UXACSBKKYMOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN3OS/c31-22-17-15-20(16-18-22)24-9-6-10-25(33-24)21-7-5-8-23(19-21)32-30(35)34-26-11-1-3-13-28(26)36-29-14-4-2-12-27(29)34/h1-19H,(H,32,35).
What are the key properties of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide?
N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 8.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 46090676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).