N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C15H16N2O2S — CID 71941120

IUPACN-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C15H16N2O2S/c1-17(8-10-5-6-20-9-10)15(19)12-7-11-3-2-4-13(11)16-14(12)18/h5-7,9H,2-4,8H2,1H3,(H,16,18)
InChIKeyXHWJQQKSQLDZEM-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71941120) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71941120
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C15H16N2O2S/c1-17(8-10-5-6-20-9-10)15(19)12-7-11-3-2-4-13(11)16-14(12)18/h5-7,9H,2-4,8H2,1H3,(H,16,18)
InChIKeyXHWJQQKSQLDZEM-UHFFFAOYSA-N
XLogP2.20
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71941120) is N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is CN(Cc1ccsc1)C(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is XHWJQQKSQLDZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17(8-10-5-6-20-9-10)15(19)12-7-11-3-2-4-13(11)16-14(12)18/h5-7,9H,2-4,8H2,1H3,(H,16,18).
What are the key properties of N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(thiophen-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71941120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).