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

C23H32N2O4 — CID 59718878

IUPAC1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NC1CCOC1=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C23H32N2O4/c26-21(24-19-12-13-29-23(19)28)18-14-17-10-6-1-2-7-11-20(17)25(22(18)27)15-16-8-4-3-5-9-16/h14,16,19H,1-13,15H2,(H,24,26)
InChIKeyMVKQVISAUJGYHQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.13
Rot. Bonds4

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

1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718878) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718878
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NC1CCOC1=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C23H32N2O4/c26-21(24-19-12-13-29-23(19)28)18-14-17-10-6-1-2-7-11-20(17)25(22(18)27)15-16-8-4-3-5-9-16/h14,16,19H,1-13,15H2,(H,24,26)
InChIKeyMVKQVISAUJGYHQ-UHFFFAOYSA-N
XLogP3.13
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718878) is 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is O=C(NC1CCOC1=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is MVKQVISAUJGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-21(24-19-12-13-29-23(19)28)18-14-17-10-6-1-2-7-11-20(17)25(22(18)27)15-16-8-4-3-5-9-16/h14,16,19H,1-13,15H2,(H,24,26).
What are the key properties of 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-oxo-N-(2-oxooxolan-3-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).