N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride

C22H28ClN3OS — CID 19860965

IUPACN-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2.Cl
InChIInChI=1S/C22H27N3OS.ClH/c1-3-23-22(26)17-10-11-21-19(14-17)25(16(2)15-24-12-6-7-13-24)18-8-4-5-9-20(18)27-21;/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,23,26);1H
InChIKeySNJNTPSNKOIINK-UHFFFAOYSA-N
MW418.01 g/mol
LogP4.95
Rot. Bonds5

About N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride

N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride (PubChem CID 19860965) has the molecular formula C22H28ClN3OS and a molecular weight of 418.01 g/mol. Its IUPAC name is N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
PubChem CID19860965
Molecular FormulaC22H28ClN3OS
Molecular Weight418.01 g/mol
Exact Mass417.16
IUPAC NameN-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2.Cl
InChIInChI=1S/C22H27N3OS.ClH/c1-3-23-22(26)17-10-11-21-19(14-17)25(16(2)15-24-12-6-7-13-24)18-8-4-5-9-20(18)27-21;/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,23,26);1H
InChIKeySNJNTPSNKOIINK-UHFFFAOYSA-N
XLogP4.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.01
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
CID 19822667
N-(2-methylpropyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927921
N-[(2R)-2-methylbutyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
CID 67927885
N-(3-methylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide;hydrochloride
CID 14536612
N-(2,3-dimethylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927926
10-[1-(azepan-1-yl)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 14536542
but-2-enedioic acid;N-(cyclobutylmethyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
CID 67922628
N-(3-methylbutyl)-10-(4-methyl-5-pyrrolidin-1-ylpentan-2-yl)phenothiazine-2-carboxamide
CID 67827211
N-(3,3-dimethylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide;hydrochloride
CID 14536628
N-(3-methylbutyl)-10-(1-piperidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide
CID 14536616
ethyl 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboximidate;hydrochloride
CID 19860968
ethyl 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboximidate;dihydrochloride
CID 14502146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride (CID 19860965) is N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride is CCNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2.Cl.
What is the InChIKey of N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
The InChIKey is SNJNTPSNKOIINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS.ClH/c1-3-23-22(26)17-10-11-21-19(14-17)25(16(2)15-24-12-6-7-13-24)18-8-4-5-9-20(18)27-21;/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,23,26);1H.
What are the key properties of N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride has a molecular weight of 418.01 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 19860965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).