2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C19H29N3O2 — CID 156611594

IUPAC2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOc1cccc(CN2CCCCCCNC(=O)C3CCCC32)n1
InChIInChI=1S/C19H29N3O2/c1-24-18-11-6-8-15(21-18)14-22-13-5-3-2-4-12-20-19(23)16-9-7-10-17(16)22/h6,8,11,16-17H,2-5,7,9-10,12-14H2,1H3,(H,20,23)
InChIKeyDVJYZXRRNXVFNM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.75
Rot. Bonds3

About 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one

2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 156611594) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID156611594
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOc1cccc(CN2CCCCCCNC(=O)C3CCCC32)n1
InChIInChI=1S/C19H29N3O2/c1-24-18-11-6-8-15(21-18)14-22-13-5-3-2-4-12-20-19(23)16-9-7-10-17(16)22/h6,8,11,16-17H,2-5,7,9-10,12-14H2,1H3,(H,20,23)
InChIKeyDVJYZXRRNXVFNM-UHFFFAOYSA-N
XLogP2.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 156611594) is 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one is COc1cccc(CN2CCCCCCNC(=O)C3CCCC32)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is DVJYZXRRNXVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-24-18-11-6-8-15(21-18)14-22-13-5-3-2-4-12-20-19(23)16-9-7-10-17(16)22/h6,8,11,16-17H,2-5,7,9-10,12-14H2,1H3,(H,20,23).
What are the key properties of 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 331.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 156611594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).