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

C17H26N2O2 — CID 58610341

IUPAC1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC)c1=O)CCCCCC2
InChIInChI=1S/C17H26N2O2/c1-3-4-11-19-15-10-8-6-5-7-9-13(15)12-14(17(19)21)16(20)18-2/h12H,3-11H2,1-2H3,(H,18,20)
InChIKeyHWBPXXPAGGZWEC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.67
Rot. Bonds4

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

1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 58610341) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID58610341
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC)c1=O)CCCCCC2
InChIInChI=1S/C17H26N2O2/c1-3-4-11-19-15-10-8-6-5-7-9-13(15)12-14(17(19)21)16(20)18-2/h12H,3-11H2,1-2H3,(H,18,20)
InChIKeyHWBPXXPAGGZWEC-UHFFFAOYSA-N
XLogP2.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 58610341) is 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NC)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is HWBPXXPAGGZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-11-19-15-10-8-6-5-7-9-13(15)12-14(17(19)21)16(20)18-2/h12H,3-11H2,1-2H3,(H,18,20).
What are the key properties of 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 58610341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).