3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide

C20H17N3OS — CID 2106288

IUPAC3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccnc1
InChIInChI=1S/C20H17N3OS/c24-20(22-15-6-5-12-21-14-15)11-13-23-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)23/h1-10,12,14H,11,13H2,(H,22,24)
InChIKeyNSRDDDZRKNFAJF-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.71
Rot. Bonds4

About 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide

3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide (PubChem CID 2106288) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
PubChem CID2106288
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccnc1
InChIInChI=1S/C20H17N3OS/c24-20(22-15-6-5-12-21-14-15)11-13-23-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)23/h1-10,12,14H,11,13H2,(H,22,24)
InChIKeyNSRDDDZRKNFAJF-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

3-phenothiazin-10-yl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112835297
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
CID 37151951
10-(2-pyridin-3-ylethyl)phenothiazine
CID 134853152
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide
CID 3314091
N-(1-hydroxypropan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 78857040
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 2357448
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-pyridin-3-ylpropanamide
CID 99993634

Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide (CID 2106288) is 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide is O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccnc1.
What is the InChIKey of 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide?
The InChIKey is NSRDDDZRKNFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-20(22-15-6-5-12-21-14-15)11-13-23-16-7-1-3-9-18(16)25-19-10-4-2-8-17(19)23/h1-10,12,14H,11,13H2,(H,22,24).
What are the key properties of 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide?
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide has a molecular weight of 347.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 2106288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).