4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one

C21H20ClN5O3 — CID 66823348

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one (PubChem CID 66823348) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one
• PubChem CID: 66823348
• Molecular Formula: C21H20ClN5O3
• Molecular Weight: 425.88 g/mol
• Exact Mass: 425.13
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one
• SMILES: O=c1[nH]c(N2CC3CNC3C2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O
• InChI: InChI=1S/C21H20ClN5O3/c22-14-1-2-15(23-9-14)12-30-16-5-6-27(20(28)7-16)18-3-4-19(25-21(18)29)26-10-13-8-24-17(13)11-26/h1-7,9,13,17,24H,8,10-12H2,(H,25,29)
• InChIKey: SFAJVTHMZIXLFZ-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.88
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one (CID 66823348) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one is O=c1[nH]c(N2CC3CNC3C2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O.

What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

The InChIKey is SFAJVTHMZIXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c22-14-1-2-15(23-9-14)12-30-16-5-6-27(20(28)7-16)18-3-4-19(25-21(18)29)26-10-13-8-24-17(13)11-26/h1-7,9,13,17,24H,8,10-12H2,(H,25,29).

What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one has a molecular weight of 425.88 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one is sourced from PubChem (CID 66823348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).