N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide

C18H26N4O2 — CID 99634520

IUPACN-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide
SMILESCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C18H26N4O2/c1-4-21-10-9-14-6-7-15(11-21)22(14)18(24)17(23)20-16-8-5-12(2)19-13(16)3/h5,8,14-15H,4,6-7,9-11H2,1-3H3,(H,20,23)/t14-,15+/m1/s1
InChIKeyXEPBGCMNJAQXQA-CABCVRRESA-N
MW330.43 g/mol
LogP1.72
Rot. Bonds2

About N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide

N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide (PubChem CID 99634520) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide
PubChem CID99634520
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide
SMILESCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C18H26N4O2/c1-4-21-10-9-14-6-7-15(11-21)22(14)18(24)17(23)20-16-8-5-12(2)19-13(16)3/h5,8,14-15H,4,6-7,9-11H2,1-3H3,(H,20,23)/t14-,15+/m1/s1
InChIKeyXEPBGCMNJAQXQA-CABCVRRESA-N
XLogP1.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide (CID 99634520) is N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide is CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)nc1C.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide?
The InChIKey is XEPBGCMNJAQXQA-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21-10-9-14-6-7-15(11-21)22(14)18(24)17(23)20-16-8-5-12(2)19-13(16)3/h5,8,14-15H,4,6-7,9-11H2,1-3H3,(H,20,23)/t14-,15+/m1/s1.
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide?
N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide has a molecular weight of 330.43 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-oxoacetamide is sourced from PubChem (CID 99634520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).