N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C20H32N2O2 — CID 23588002

IUPACN,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cc2c(n(CCCC)c1=O)CCCCCC2
InChIInChI=1S/C20H32N2O2/c1-3-5-13-21-19(23)17-15-16-11-9-7-8-10-12-18(16)22(20(17)24)14-6-4-2/h15H,3-14H2,1-2H3,(H,21,23)
InChIKeyDASPYOMJOBMAGB-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.84
Rot. Bonds7

About N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 23588002) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID23588002
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cc2c(n(CCCC)c1=O)CCCCCC2
InChIInChI=1S/C20H32N2O2/c1-3-5-13-21-19(23)17-15-16-11-9-7-8-10-12-18(16)22(20(17)24)14-6-4-2/h15H,3-14H2,1-2H3,(H,21,23)
InChIKeyDASPYOMJOBMAGB-UHFFFAOYSA-N
XLogP3.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 23588002) is N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCNC(=O)c1cc2c(n(CCCC)c1=O)CCCCCC2.
What is the InChIKey of N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is DASPYOMJOBMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-5-13-21-19(23)17-15-16-11-9-7-8-10-12-18(16)22(20(17)24)14-6-4-2/h15H,3-14H2,1-2H3,(H,21,23).
What are the key properties of N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 23588002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).