2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C12H16N2O2 — CID 3075535

IUPAC2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCCOc1nc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C12H16N2O2/c1-2-6-16-12-9(11(13)15)7-8-4-3-5-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15)
InChIKeyHSNJNXYPFUPBFO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.46
Rot. Bonds4

About 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 3075535) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID3075535
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCCOc1nc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C12H16N2O2/c1-2-6-16-12-9(11(13)15)7-8-4-3-5-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15)
InChIKeyHSNJNXYPFUPBFO-UHFFFAOYSA-N
XLogP1.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 3075535) is 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CCCOc1nc2c(cc1C(N)=O)CCC2.
What is the InChIKey of 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is HSNJNXYPFUPBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-6-16-12-9(11(13)15)7-8-4-3-5-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15).
What are the key properties of 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 3075535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).