N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C26H35N3O3 — CID 71660105

IUPACN-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2c(n(CCCN3CCOCC3)c1=O)CCCCCC2
InChIInChI=1S/C26H35N3O3/c30-25(27-20-21-9-4-3-5-10-21)23-19-22-11-6-1-2-7-12-24(22)29(26(23)31)14-8-13-28-15-17-32-18-16-28/h3-5,9-10,19H,1-2,6-8,11-18,20H2,(H,27,30)
InChIKeyKINYMFFVXLNZAQ-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.16
Rot. Bonds7

About N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 71660105) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID71660105
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2c(n(CCCN3CCOCC3)c1=O)CCCCCC2
InChIInChI=1S/C26H35N3O3/c30-25(27-20-21-9-4-3-5-10-21)23-19-22-11-6-1-2-7-12-24(22)29(26(23)31)14-8-13-28-15-17-32-18-16-28/h3-5,9-10,19H,1-2,6-8,11-18,20H2,(H,27,30)
InChIKeyKINYMFFVXLNZAQ-UHFFFAOYSA-N
XLogP3.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 71660105) is N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1cc2c(n(CCCN3CCOCC3)c1=O)CCCCCC2.
What is the InChIKey of N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is KINYMFFVXLNZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c30-25(27-20-21-9-4-3-5-10-21)23-19-22-11-6-1-2-7-12-24(22)29(26(23)31)14-8-13-28-15-17-32-18-16-28/h3-5,9-10,19H,1-2,6-8,11-18,20H2,(H,27,30).
What are the key properties of N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-morpholin-4-ylpropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71660105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).