5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one

C16H26N4O — CID 79165612

IUPAC5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one
SMILESCN1C2CCC1CN(CCCn1cc(N)ccc1=O)CC2
InChIInChI=1S/C16H26N4O/c1-18-14-4-5-15(18)12-19(10-7-14)8-2-9-20-11-13(17)3-6-16(20)21/h3,6,11,14-15H,2,4-5,7-10,12,17H2,1H3
InChIKeyOPRWGHULQRJHDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.99
Rot. Bonds4

About 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one

5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one (PubChem CID 79165612) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one
PubChem CID79165612
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one
SMILESCN1C2CCC1CN(CCCn1cc(N)ccc1=O)CC2
InChIInChI=1S/C16H26N4O/c1-18-14-4-5-15(18)12-19(10-7-14)8-2-9-20-11-13(17)3-6-16(20)21/h3,6,11,14-15H,2,4-5,7-10,12,17H2,1H3
InChIKeyOPRWGHULQRJHDR-UHFFFAOYSA-N
XLogP0.99
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one (CID 79165612) is 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one is CN1C2CCC1CN(CCCn1cc(N)ccc1=O)CC2.
What is the InChIKey of 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one?
The InChIKey is OPRWGHULQRJHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-14-4-5-15(18)12-19(10-7-14)8-2-9-20-11-13(17)3-6-16(20)21/h3,6,11,14-15H,2,4-5,7-10,12,17H2,1H3.
What are the key properties of 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one?
5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one has a molecular weight of 290.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]pyridin-2-one is sourced from PubChem (CID 79165612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).