N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H19N3O2S — CID 72900019

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NCCc1nc3ccccc3s1)CCC2
InChIInChI=1S/C19H19N3O2S/c1-24-19-13(11-12-5-4-7-14(12)22-19)18(23)20-10-9-17-21-15-6-2-3-8-16(15)25-17/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H,20,23)
InChIKeyROZQPQNVINFUAG-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72900019) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72900019
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NCCc1nc3ccccc3s1)CCC2
InChIInChI=1S/C19H19N3O2S/c1-24-19-13(11-12-5-4-7-14(12)22-19)18(23)20-10-9-17-21-15-6-2-3-8-16(15)25-17/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H,20,23)
InChIKeyROZQPQNVINFUAG-UHFFFAOYSA-N
XLogP3.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72900019) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NCCc1nc3ccccc3s1)CCC2.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is ROZQPQNVINFUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-19-13(11-12-5-4-7-14(12)22-19)18(23)20-10-9-17-21-15-6-2-3-8-16(15)25-17/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H,20,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72900019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).