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

C22H28N2O3 — CID 71660104

IUPACN-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCOCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C22H28N2O3/c1-27-14-13-24-20-12-8-3-2-7-11-18(20)15-19(22(24)26)21(25)23-16-17-9-5-4-6-10-17/h4-6,9-10,15H,2-3,7-8,11-14,16H2,1H3,(H,23,25)
InChIKeyPIIJIDXGYZBGMW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.08
Rot. Bonds6

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

N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 71660104) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID71660104
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCOCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C22H28N2O3/c1-27-14-13-24-20-12-8-3-2-7-11-18(20)15-19(22(24)26)21(25)23-16-17-9-5-4-6-10-17/h4-6,9-10,15H,2-3,7-8,11-14,16H2,1H3,(H,23,25)
InChIKeyPIIJIDXGYZBGMW-UHFFFAOYSA-N
XLogP3.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 71660104) is N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is COCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2.
What is the InChIKey of N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is PIIJIDXGYZBGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-14-13-24-20-12-8-3-2-7-11-18(20)15-19(22(24)26)21(25)23-16-17-9-5-4-6-10-17/h4-6,9-10,15H,2-3,7-8,11-14,16H2,1H3,(H,23,25).
What are the key properties of N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71660104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).