N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide

C24H29N5OS — CID 25012189

IUPACN-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide
SMILESO=C(NN1CCCCCC1)c1cnc2c(c1)N=C(N1CCCCC1)c1ccccc1S2
InChIInChI=1S/C24H29N5OS/c30-23(27-29-14-8-1-2-9-15-29)18-16-20-24(25-17-18)31-21-11-5-4-10-19(21)22(26-20)28-12-6-3-7-13-28/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,27,30)
InChIKeyLIOYKKFHDQRIJA-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.63
Rot. Bonds2

About N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide

N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide (PubChem CID 25012189) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide
PubChem CID25012189
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC NameN-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide
SMILESO=C(NN1CCCCCC1)c1cnc2c(c1)N=C(N1CCCCC1)c1ccccc1S2
InChIInChI=1S/C24H29N5OS/c30-23(27-29-14-8-1-2-9-15-29)18-16-20-24(25-17-18)31-21-11-5-4-10-19(21)22(26-20)28-12-6-3-7-13-28/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,27,30)
InChIKeyLIOYKKFHDQRIJA-UHFFFAOYSA-N
XLogP4.63
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-phenylpropyl)-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 58872194
N-(azepan-1-yl)-6-(3-hydroxyphenyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 145482707
6-(3,4-dichlorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide;ethane
CID 145482576
N-(azepan-1-yl)-6-(3-fluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 58872140
6-(3-bromophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 58871970
6-(3-fluorophenyl)-N-pyrrolidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 58872430
6-(3-chloro-4-fluorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide;6-(3,4-difluorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 162161288
N-(azepan-1-yl)-6-(5-chloro-2-pyridinyl)pyrido[3,4-b][1,4]benzothiazepine-3-carboxamide
CID 25011850
4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
CID 25012507
N-(azepan-1-yl)-6-(3-fluorophenyl)pyrido[3,4-b][1,4]benzothiazepine-3-carboxamide
CID 25012184
2,3-diamino-N-(azepan-1-yl)-4-pyridin-3-yl-1,5-benzothiazepine-7-carboxamide
CID 143659268
6-phenyl-N-piperidin-1-ylpyrimido[5,4-b][1,4]benzothiazepine-3-carboxamide
CID 25012349

Frequently Asked Questions

What is the IUPAC name of N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide?
The IUPAC name of N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide (CID 25012189) is N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide.
What is the SMILES notation for N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide?
The canonical SMILES for N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide is O=C(NN1CCCCCC1)c1cnc2c(c1)N=C(N1CCCCC1)c1ccccc1S2.
What is the InChIKey of N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide?
The InChIKey is LIOYKKFHDQRIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c30-23(27-29-14-8-1-2-9-15-29)18-16-20-24(25-17-18)31-21-11-5-4-10-19(21)22(26-20)28-12-6-3-7-13-28/h4-5,10-11,16-17H,1-3,6-9,12-15H2,(H,27,30).
What are the key properties of N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide?
N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide is sourced from PubChem (CID 25012189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).