N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C24H32N2O2 — CID 71660103

IUPACN-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)CCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C24H32N2O2/c1-18(2)14-15-26-22-13-9-4-3-8-12-20(22)16-21(24(26)28)23(27)25-17-19-10-6-5-7-11-19/h5-7,10-11,16,18H,3-4,8-9,12-15,17H2,1-2H3,(H,25,27)
InChIKeyYAOJEHCXNSTNAD-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.48
Rot. Bonds6

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

N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 71660103) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID71660103
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)CCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C24H32N2O2/c1-18(2)14-15-26-22-13-9-4-3-8-12-20(22)16-21(24(26)28)23(27)25-17-19-10-6-5-7-11-19/h5-7,10-11,16,18H,3-4,8-9,12-15,17H2,1-2H3,(H,25,27)
InChIKeyYAOJEHCXNSTNAD-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 71660103) is N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)CCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2.
What is the InChIKey of N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is YAOJEHCXNSTNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)14-15-26-22-13-9-4-3-8-12-20(22)16-21(24(26)28)23(27)25-17-19-10-6-5-7-11-19/h5-7,10-11,16,18H,3-4,8-9,12-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71660103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).