N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C16H19N3O3S — CID 72884295

IUPACN-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)N(CCO)Cc1nccs1)CCC2
InChIInChI=1S/C16H19N3O3S/c1-22-15-12(9-11-3-2-4-13(11)18-15)16(21)19(6-7-20)10-14-17-5-8-23-14/h5,8-9,20H,2-4,6-7,10H2,1H3
InChIKeyVDVVUAACXQOBEO-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.67
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72884295) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72884295
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)N(CCO)Cc1nccs1)CCC2
InChIInChI=1S/C16H19N3O3S/c1-22-15-12(9-11-3-2-4-13(11)18-15)16(21)19(6-7-20)10-14-17-5-8-23-14/h5,8-9,20H,2-4,6-7,10H2,1H3
InChIKeyVDVVUAACXQOBEO-UHFFFAOYSA-N
XLogP1.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72884295) is N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)N(CCO)Cc1nccs1)CCC2.
What is the InChIKey of N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is VDVVUAACXQOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-15-12(9-11-3-2-4-13(11)18-15)16(21)19(6-7-20)10-14-17-5-8-23-14/h5,8-9,20H,2-4,6-7,10H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methoxy-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).