10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide

C20H23N3OS — CID 19020520

IUPAC10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide
SMILESCCC(N1CCCC1)N1c2ccccc2Sc2ccc(C(N)=O)cc21
InChIInChI=1S/C20H23N3OS/c1-2-19(22-11-5-6-12-22)23-15-7-3-4-8-17(15)25-18-10-9-14(20(21)24)13-16(18)23/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3,(H2,21,24)
InChIKeyHBAIVPIYFCVSAO-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.22
Rot. Bonds4

About 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide

10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide (PubChem CID 19020520) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide.

Molecular Properties

Compound Name10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide
PubChem CID19020520
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide
SMILESCCC(N1CCCC1)N1c2ccccc2Sc2ccc(C(N)=O)cc21
InChIInChI=1S/C20H23N3OS/c1-2-19(22-11-5-6-12-22)23-15-7-3-4-8-17(15)25-18-10-9-14(20(21)24)13-16(18)23/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3,(H2,21,24)
InChIKeyHBAIVPIYFCVSAO-UHFFFAOYSA-N
XLogP4.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methylbutyl]-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide
CID 67927885
N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
CID 19860965
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
CID 25008399
N-(2-methylpropyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927921
10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]phenothiazine-2-carbothioamide
CID 54050440
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;hydrochloride
CID 19860968
ethyl 10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboximidate;dihydrochloride
CID 14502146
10-(1-hydroxypropan-2-yl)phenothiazine-2-carbothioamide
CID 15096230
N-(2,3-dimethylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
CID 67927926
10-hexadecylphenothiazine-3-carboxamide
CID 102483865
N-(3-methylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide;hydrochloride
CID 14536612

Frequently Asked Questions

What is the IUPAC name of 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide?
The IUPAC name of 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide (CID 19020520) is 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide.
What is the SMILES notation for 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide?
The canonical SMILES for 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide is CCC(N1CCCC1)N1c2ccccc2Sc2ccc(C(N)=O)cc21.
What is the InChIKey of 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide?
The InChIKey is HBAIVPIYFCVSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-19(22-11-5-6-12-22)23-15-7-3-4-8-17(15)25-18-10-9-14(20(21)24)13-16(18)23/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3,(H2,21,24).
What are the key properties of 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide?
10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide is sourced from PubChem (CID 19020520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).