1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide

C17H19N3OS — CID 170311642

IUPAC1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
SMILESCCNC(=O)N1c2ccccc2Sc2cccc(N(C)C)c21
InChIInChI=1S/C17H19N3OS/c1-4-18-17(21)20-12-8-5-6-10-14(12)22-15-11-7-9-13(16(15)20)19(2)3/h5-11H,4H2,1-3H3,(H,18,21)
InChIKeyCTRKUQGXQXUZHB-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.08
Rot. Bonds2

About 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide

1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide (PubChem CID 170311642) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide.

Molecular Properties

Compound Name1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
PubChem CID170311642
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
SMILESCCNC(=O)N1c2ccccc2Sc2cccc(N(C)C)c21
InChIInChI=1S/C17H19N3OS/c1-4-18-17(21)20-12-8-5-6-10-14(12)22-15-11-7-9-13(16(15)20)19(2)3/h5-11H,4H2,1-3H3,(H,18,21)
InChIKeyCTRKUQGXQXUZHB-UHFFFAOYSA-N
XLogP4.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)phenothiazine-10-carboxylic acid
CID 137365111
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
CID 4086597
1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693
N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
CID 94842488
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide
CID 2045214
N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
CID 704264
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
3-(diethylamino)-2-methyl-1-phenothiazin-10-ylbutan-1-one
CID 3029960
1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine
CID 70223787

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide?
The IUPAC name of 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide (CID 170311642) is 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide.
What is the SMILES notation for 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide?
The canonical SMILES for 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide is CCNC(=O)N1c2ccccc2Sc2cccc(N(C)C)c21.
What is the InChIKey of 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide?
The InChIKey is CTRKUQGXQXUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-18-17(21)20-12-8-5-6-10-14(12)22-15-11-7-9-13(16(15)20)19(2)3/h5-11H,4H2,1-3H3,(H,18,21).
What are the key properties of 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide?
1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide is sourced from PubChem (CID 170311642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).