N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide

C28H29N5OS — CID 44447015

IUPACN-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESC1CC2=C(C1NC(=O)C3=CN=CC=C3)C=C(C=C2)CCN4CCN(CC4)C5=NSC6=CC=CC=C65
InChIInChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-9-21-8-7-20(18-24(21)25)11-13-32-14-16-33(17-15-32)27-23-5-1-2-6-26(23)35-31-27/h1-8,12,18-19,25H,9-11,13-17H2,(H,30,34)
InChIKeyCXZDAMKDHUXFMW-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.70
Rot. Bonds6

About N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide

N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide (PubChem CID 44447015) has the molecular formula C28H29N5OS and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide
PubChem CID44447015
Molecular FormulaC28H29N5OS
Molecular Weight483.60 g/mol
Exact Mass483.21
IUPAC NameN-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESC1CC2=C(C1NC(=O)C3=CN=CC=C3)C=C(C=C2)CCN4CCN(CC4)C5=NSC6=CC=CC=C65
InChIInChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-9-21-8-7-20(18-24(21)25)11-13-32-14-16-33(17-15-32)27-23-5-1-2-6-26(23)35-31-27/h1-8,12,18-19,25H,9-11,13-17H2,(H,30,34)
InChIKeyCXZDAMKDHUXFMW-UHFFFAOYSA-N
XLogP4.70
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity715

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 72700634
N-(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide
CID 44447072
3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 9844458
N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
CID 10500912
Pyridine-2-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 10572792
Quinoline-8-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 10575339
3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-isonicotinamide
CID 10597700
N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-isonicotinamide
CID 10620723
2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
CID 10716504
4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-nicotinamide
CID 11795852
1H-Indole-7-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 11797049
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10717656

Frequently Asked Questions

What is the IUPAC name of N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide?
The IUPAC name of N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide (CID 44447015) is N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide?
The canonical SMILES for N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide is C1CC2=C(C1NC(=O)C3=CN=CC=C3)C=C(C=C2)CCN4CCN(CC4)C5=NSC6=CC=CC=C65.
What is the InChIKey of N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide?
The InChIKey is CXZDAMKDHUXFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-9-21-8-7-20(18-24(21)25)11-13-32-14-16-33(17-15-32)27-23-5-1-2-6-26(23)35-31-27/h1-8,12,18-19,25H,9-11,13-17H2,(H,30,34).
What are the key properties of N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide?
N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide has a molecular weight of 483.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)nicotinamide is sourced from PubChem (CID 44447015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).