N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide

C19H21N3OS — CID 10268794

IUPACN-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide
SMILESO=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H21N3OS/c23-19(20-11-14-21-12-5-6-13-21)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-4,7-10H,5-6,11-14H2,(H,20,23)
InChIKeyDUFNIJJWDMNBKO-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.09
Rot. Bonds3

About N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide

N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide (PubChem CID 10268794) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide
PubChem CID10268794
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide
SMILESO=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H21N3OS/c23-19(20-11-14-21-12-5-6-13-21)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-4,7-10H,5-6,11-14H2,(H,20,23)
InChIKeyDUFNIJJWDMNBKO-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide (CID 10268794) is N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide is O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide?
The InChIKey is DUFNIJJWDMNBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-19(20-11-14-21-12-5-6-13-21)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-4,7-10H,5-6,11-14H2,(H,20,23).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide?
N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 10268794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).