2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone

C21H30N4O — CID 170947776

IUPAC2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCc2cc(N3C4CCC3CNC4)cnc2C1
InChIInChI=1S/C21H30N4O/c26-21(9-15-3-1-2-4-15)24-8-7-16-10-19(13-23-20(16)14-24)25-17-5-6-18(25)12-22-11-17/h10,13,15,17-18,22H,1-9,11-12,14H2
InChIKeyXNQIBOJLEUDIQB-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.49
Rot. Bonds3

About 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone

2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone (PubChem CID 170947776) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone
PubChem CID170947776
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCc2cc(N3C4CCC3CNC4)cnc2C1
InChIInChI=1S/C21H30N4O/c26-21(9-15-3-1-2-4-15)24-8-7-16-10-19(13-23-20(16)14-24)25-17-5-6-18(25)12-22-11-17/h10,13,15,17-18,22H,1-9,11-12,14H2
InChIKeyXNQIBOJLEUDIQB-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone (CID 170947776) is 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone is O=C(CC1CCCC1)N1CCc2cc(N3C4CCC3CNC4)cnc2C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone?
The InChIKey is XNQIBOJLEUDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c26-21(9-15-3-1-2-4-15)24-8-7-16-10-19(13-23-20(16)14-24)25-17-5-6-18(25)12-22-11-17/h10,13,15,17-18,22H,1-9,11-12,14H2.
What are the key properties of 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone?
2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone has a molecular weight of 354.50 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 170947776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).