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

C22H34N2O2 — CID 23587763

IUPAC1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
InChIKeyIVUOVVRJRKZZQF-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.37
Rot. Bonds5

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

1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 23587763) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID23587763
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
InChIKeyIVUOVVRJRKZZQF-UHFFFAOYSA-N
XLogP4.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 23587763) is 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is IVUOVVRJRKZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25).
What are the key properties of 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 23587763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).