N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H23N3O3 — CID 52898062

IUPACN-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H23N3O3/c20-15(17-5-2-6-19-7-9-22-10-8-19)13-11-12-3-1-4-14(12)18-16(13)21/h11H,1-10H2,(H,17,20)(H,18,21)
InChIKeyMRQAQFZMSICCFN-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.32
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 52898062) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID52898062
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H23N3O3/c20-15(17-5-2-6-19-7-9-22-10-8-19)13-11-12-3-1-4-14(12)18-16(13)21/h11H,1-10H2,(H,17,20)(H,18,21)
InChIKeyMRQAQFZMSICCFN-UHFFFAOYSA-N
XLogP0.32
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 52898062) is N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is MRQAQFZMSICCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(17-5-2-6-19-7-9-22-10-8-19)13-11-12-3-1-4-14(12)18-16(13)21/h11H,1-10H2,(H,17,20)(H,18,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 52898062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).