N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide

C23H23N3OS — CID 46229162

IUPACN-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide
SMILESCN(CCCNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1
InChIInChI=1S/C23H23N3OS/c1-25(18-10-3-2-4-11-18)17-9-16-24-23(27)26-19-12-5-7-14-21(19)28-22-15-8-6-13-20(22)26/h2-8,10-15H,9,16-17H2,1H3,(H,24,27)
InChIKeyZWHHCRPMFHBASK-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.53
Rot. Bonds5

About N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide

N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide (PubChem CID 46229162) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide
PubChem CID46229162
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide
SMILESCN(CCCNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1
InChIInChI=1S/C23H23N3OS/c1-25(18-10-3-2-4-11-18)17-9-16-24-23(27)26-19-12-5-7-14-21(19)28-22-15-8-6-13-20(22)26/h2-8,10-15H,9,16-17H2,1H3,(H,24,27)
InChIKeyZWHHCRPMFHBASK-UHFFFAOYSA-N
XLogP5.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide (CID 46229162) is N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide is CN(CCCNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide?
The InChIKey is ZWHHCRPMFHBASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-25(18-10-3-2-4-11-18)17-9-16-24-23(27)26-19-12-5-7-14-21(19)28-22-15-8-6-13-20(22)26/h2-8,10-15H,9,16-17H2,1H3,(H,24,27).
What are the key properties of N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide?
N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 46229162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).