1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide

C23H29N3OS — CID 57299021

IUPAC1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
SMILESCCCc1c(C(N)=O)ccc2c1N(C(C)CN1CCCC1)c1ccccc1S2
InChIInChI=1S/C23H29N3OS/c1-3-8-17-18(23(24)27)11-12-21-22(17)26(16(2)15-25-13-6-7-14-25)19-9-4-5-10-20(19)28-21/h4-5,9-12,16H,3,6-8,13-15H2,1-2H3,(H2,24,27)
InChIKeyUCNGUHKFWCQURS-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.82
Rot. Bonds6

About 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide

1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide (PubChem CID 57299021) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide.

Molecular Properties

Compound Name1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
PubChem CID57299021
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
SMILESCCCc1c(C(N)=O)ccc2c1N(C(C)CN1CCCC1)c1ccccc1S2
InChIInChI=1S/C23H29N3OS/c1-3-8-17-18(23(24)27)11-12-21-22(17)26(16(2)15-25-13-6-7-14-25)19-9-4-5-10-20(19)28-21/h4-5,9-12,16H,3,6-8,13-15H2,1-2H3,(H2,24,27)
InChIKeyUCNGUHKFWCQURS-UHFFFAOYSA-N
XLogP4.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutyl)-10-(1-piperidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide
CID 142625483
N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
CID 19860965
10-[1-(azepan-1-yl)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 14536542
bis[10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-2-(propylcarbamothioyl)phenothiazin-1-yl] (E)-but-2-enedioate
CID 88511492
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
ethyl 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboximidate;hydrochloride
CID 19860968
N-(2-methylpropyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
CID 19822667
ethyl 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboximidate;dihydrochloride
CID 14502146
N-(2,3-dimethylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927926
10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride
CID 19020543
10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]phenothiazine-2-carbothioamide
CID 54050440

Frequently Asked Questions

What is the IUPAC name of 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide?
The IUPAC name of 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide (CID 57299021) is 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide.
What is the SMILES notation for 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide?
The canonical SMILES for 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide is CCCc1c(C(N)=O)ccc2c1N(C(C)CN1CCCC1)c1ccccc1S2.
What is the InChIKey of 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide?
The InChIKey is UCNGUHKFWCQURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-3-8-17-18(23(24)27)11-12-21-22(17)26(16(2)15-25-13-6-7-14-25)19-9-4-5-10-20(19)28-21/h4-5,9-12,16H,3,6-8,13-15H2,1-2H3,(H2,24,27).
What are the key properties of 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide?
1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide is sourced from PubChem (CID 57299021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).