N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide

C21H19N3OS — CID 3709693

IUPACN-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H19N3OS/c1-23(2)16-13-11-15(12-14-16)22-21(25)24-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)24/h3-14H,1-2H3,(H,22,25)
InChIKeyPIORSVMKRQREIE-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.59
Rot. Bonds2

About N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide

N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide (PubChem CID 3709693) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
PubChem CID3709693
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H19N3OS/c1-23(2)16-13-11-15(12-14-16)22-21(25)24-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)24/h3-14H,1-2H3,(H,22,25)
InChIKeyPIORSVMKRQREIE-UHFFFAOYSA-N
XLogP5.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
CID 56923247
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
methyl 2-(phenothiazine-10-carbonylamino)benzoate
CID 1045457
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
CID 170311642
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylthiourea
CID 19712999
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
CID 27184279
N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
CID 4928336

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide (CID 3709693) is N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide is CN(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide?
The InChIKey is PIORSVMKRQREIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-23(2)16-13-11-15(12-14-16)22-21(25)24-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)24/h3-14H,1-2H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide?
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 3709693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).