N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide

C19H15N3OS — CID 704264

IUPACN-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
SMILESO=C(NCc1cccnc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H15N3OS/c23-19(21-13-14-6-5-11-20-12-14)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-12H,13H2,(H,21,23)
InChIKeyQOKMEIRGZSYISP-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.59
Rot. Bonds2

About N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide

N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide (PubChem CID 704264) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
PubChem CID704264
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
SMILESO=C(NCc1cccnc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H15N3OS/c23-19(21-13-14-6-5-11-20-12-14)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-12H,13H2,(H,21,23)
InChIKeyQOKMEIRGZSYISP-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2-[(2E)-2-[(4-ethylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46251078
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenothiazine-10-carboxamide
CID 23102334
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
4-[(Z)-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 46250012
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 158290599

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide (CID 704264) is N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide is O=C(NCc1cccnc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide?
The InChIKey is QOKMEIRGZSYISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(21-13-14-6-5-11-20-12-14)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-12H,13H2,(H,21,23).
What are the key properties of N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide?
N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 704264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).