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

C17H20N4O2 — CID 72838951

IUPAC2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC(C)Cc1cnccn1)CCC2
InChIInChI=1S/C17H20N4O2/c1-11(8-13-10-18-6-7-19-13)20-16(22)14-9-12-4-3-5-15(12)21-17(14)23-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyBRAMBSMQFMRKLT-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.73
Rot. Bonds5

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

2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72838951) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72838951
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC(C)Cc1cnccn1)CCC2
InChIInChI=1S/C17H20N4O2/c1-11(8-13-10-18-6-7-19-13)20-16(22)14-9-12-4-3-5-15(12)21-17(14)23-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyBRAMBSMQFMRKLT-UHFFFAOYSA-N
XLogP1.73
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72838951) is 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NC(C)Cc1cnccn1)CCC2.
What is the InChIKey of 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is BRAMBSMQFMRKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(8-13-10-18-6-7-19-13)20-16(22)14-9-12-4-3-5-15(12)21-17(14)23-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,20,22).
What are the key properties of 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-pyrazin-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72838951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).