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

C23H30N2O2 — CID 59718847

IUPACN-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C23H30N2O2/c1-2-3-15-25-21-14-10-5-4-9-13-19(21)16-20(23(25)27)22(26)24-17-18-11-7-6-8-12-18/h6-8,11-12,16H,2-5,9-10,13-15,17H2,1H3,(H,24,26)
InChIKeySNDFSBWQROTRLI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.24
Rot. Bonds6

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

N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718847) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718847
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C23H30N2O2/c1-2-3-15-25-21-14-10-5-4-9-13-19(21)16-20(23(25)27)22(26)24-17-18-11-7-6-8-12-18/h6-8,11-12,16H,2-5,9-10,13-15,17H2,1H3,(H,24,26)
InChIKeySNDFSBWQROTRLI-UHFFFAOYSA-N
XLogP4.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718847) is N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2.
What is the InChIKey of N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is SNDFSBWQROTRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-15-25-21-14-10-5-4-9-13-19(21)16-20(23(25)27)22(26)24-17-18-11-7-6-8-12-18/h6-8,11-12,16H,2-5,9-10,13-15,17H2,1H3,(H,24,26).
What are the key properties of N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).