5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid

C15H19N3O3 — CID 79117582

IUPAC5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
SMILESCN1C2CCC1CN(C(=O)c1ccc(C(=O)O)nc1)CC2
InChIInChI=1S/C15H19N3O3/c1-17-11-3-4-12(17)9-18(7-6-11)14(19)10-2-5-13(15(20)21)16-8-10/h2,5,8,11-12H,3-4,6-7,9H2,1H3,(H,20,21)
InChIKeyUWCRJAZXPRWGQR-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.09
Rot. Bonds2

About 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid (PubChem CID 79117582) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
PubChem CID79117582
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
SMILESCN1C2CCC1CN(C(=O)c1ccc(C(=O)O)nc1)CC2
InChIInChI=1S/C15H19N3O3/c1-17-11-3-4-12(17)9-18(7-6-11)14(19)10-2-5-13(15(20)21)16-8-10/h2,5,8,11-12H,3-4,6-7,9H2,1H3,(H,20,21)
InChIKeyUWCRJAZXPRWGQR-UHFFFAOYSA-N
XLogP1.09
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156605241
(4-bromo-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115770674
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119139486
5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120552033
(3-hydroxy-4-iodophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 104629264
(4-amino-3-hydroxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107075598
(4-hydrazinyl-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79166049
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
(3-amino-4-chlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79175553
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424

Frequently Asked Questions

What is the IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid (CID 79117582) is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid is CN1C2CCC1CN(C(=O)c1ccc(C(=O)O)nc1)CC2.
What is the InChIKey of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is UWCRJAZXPRWGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-11-3-4-12(17)9-18(7-6-11)14(19)10-2-5-13(15(20)21)16-8-10/h2,5,8,11-12H,3-4,6-7,9H2,1H3,(H,20,21).
What are the key properties of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid?
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 79117582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).