N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide

C19H14FN3OS — CID 20886219

IUPACN-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1Cc2ccccc2Sc2ncccc21
InChIInChI=1S/C19H14FN3OS/c20-14-7-9-15(10-8-14)22-19(24)23-12-13-4-1-2-6-17(13)25-18-16(23)5-3-11-21-18/h1-11H,12H2,(H,22,24)
InChIKeyPZCWDKKANDZXGZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.92
Rot. Bonds1

About N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide

N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide (PubChem CID 20886219) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide
PubChem CID20886219
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC NameN-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1Cc2ccccc2Sc2ncccc21
InChIInChI=1S/C19H14FN3OS/c20-14-7-9-15(10-8-14)22-19(24)23-12-13-4-1-2-6-17(13)25-18-16(23)5-3-11-21-18/h1-11H,12H2,(H,22,24)
InChIKeyPZCWDKKANDZXGZ-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-Tert-butylphenyl)sulfanyl-3-pyridinyl]-3-(4-methylphenyl)urea
CID 68530100
(3R,5S)-3,5-dimethyl-N-pyridin-3-yl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134153241
3-{4-[(5-Fluoro-2-methylbenzene)sulfonyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 66610865
3-{4-[(4-Fluoro-2-methylbenzene)sulfonyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 66611677
N~1~-(4-fluorophenyl)-3-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]propanamide
CID 16018603
1-[6-(4-Methylphenyl)sulfanyl-3-pyridinyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 2800854
N~1~-(2,4-difluorophenyl)-3-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]propanamide
CID 16018601
N-[(4-Fluorophenyl)methyl]-1H,2H,3H-pyrido[2,3-B][1,4]thiazine-1-carboxamide
CID 20920701
1-[(4-Fluorophenyl)methyl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 51082275
N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71935537
N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920681
N-(2,5-difluorophenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide
CID 22553310

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide (CID 20886219) is N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide is O=C(Nc1ccc(F)cc1)N1Cc2ccccc2Sc2ncccc21.
What is the InChIKey of N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide?
The InChIKey is PZCWDKKANDZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-14-7-9-15(10-8-14)22-19(24)23-12-13-4-1-2-6-17(13)25-18-16(23)5-3-11-21-18/h1-11H,12H2,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide?
N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide is sourced from PubChem (CID 20886219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).