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

C24H32ClN3OS — CID 19822667

IUPACN-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2.Cl
InChIInChI=1S/C24H31N3OS.ClH/c1-17(2)15-25-24(28)19-10-11-23-21(14-19)27(18(3)16-26-12-6-7-13-26)20-8-4-5-9-22(20)29-23;/h4-5,8-11,14,17-18H,6-7,12-13,15-16H2,1-3H3,(H,25,28);1H
InChIKeyVNIWNCQSOGQPPL-UHFFFAOYSA-N
MW446.06 g/mol
LogP5.58
Rot. Bonds6

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

N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride (PubChem CID 19822667) has the molecular formula C24H32ClN3OS and a molecular weight of 446.06 g/mol. Its IUPAC name is N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
PubChem CID19822667
Molecular FormulaC24H32ClN3OS
Molecular Weight446.06 g/mol
Exact Mass445.20
IUPAC NameN-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2.Cl
InChIInChI=1S/C24H31N3OS.ClH/c1-17(2)15-25-24(28)19-10-11-23-21(14-19)27(18(3)16-26-12-6-7-13-26)20-8-4-5-9-22(20)29-23;/h4-5,8-11,14,17-18H,6-7,12-13,15-16H2,1-3H3,(H,25,28);1H
InChIKeyVNIWNCQSOGQPPL-UHFFFAOYSA-N
XLogP5.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.06
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927921
N-(2,3-dimethylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927926
N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
CID 19860965
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-(3-methylbutyl)-10-(4-methyl-5-pyrrolidin-1-ylpentan-2-yl)phenothiazine-2-carboxamide
CID 67827211
but-2-enedioic acid;N-(cyclobutylmethyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
CID 67922628
N-(3-methylbutyl)-10-(1-piperidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide
CID 14536616
10-[1-(azepan-1-yl)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 14536542
N-(3,3-dimethylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide;hydrochloride
CID 14536628
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-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride (CID 19822667) is N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride is CC(C)CNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2.Cl.
What is the InChIKey of N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
The InChIKey is VNIWNCQSOGQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS.ClH/c1-17(2)15-25-24(28)19-10-11-23-21(14-19)27(18(3)16-26-12-6-7-13-26)20-8-4-5-9-22(20)29-23;/h4-5,8-11,14,17-18H,6-7,12-13,15-16H2,1-3H3,(H,25,28);1H.
What are the key properties of N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride?
N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride has a molecular weight of 446.06 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 19822667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).