3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone

C19H19Cl2N3O2 — CID 119639378

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1Oc1ccc(Cl)cc1Cl)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H19Cl2N3O2/c20-12-3-6-17(16(21)10-12)26-18-15(2-1-8-22-18)19(25)24-9-7-13-4-5-14(11-24)23-13/h1-3,6,8,10,13-14,23H,4-5,7,9,11H2
InChIKeyDGGKJXSDKBJUML-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.15
Rot. Bonds3

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone (PubChem CID 119639378) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
PubChem CID119639378
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1Oc1ccc(Cl)cc1Cl)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H19Cl2N3O2/c20-12-3-6-17(16(21)10-12)26-18-15(2-1-8-22-18)19(25)24-9-7-13-4-5-14(11-24)23-13/h1-3,6,8,10,13-14,23H,4-5,7,9,11H2
InChIKeyDGGKJXSDKBJUML-UHFFFAOYSA-N
XLogP4.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone with MolForge

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Related Compounds

[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120659391
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120818027
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
CID 124688800
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
(4-chloro-2-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482496
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
(2-chloro-5-hydroxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 106502690
[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
(4-chloro-2,5-difluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82771946
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone (CID 119639378) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone is O=C(c1cccnc1Oc1ccc(Cl)cc1Cl)N1CCC2CCC(C1)N2.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone?
The InChIKey is DGGKJXSDKBJUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-12-3-6-17(16(21)10-12)26-18-15(2-1-8-22-18)19(25)24-9-7-13-4-5-14(11-24)23-13/h1-3,6,8,10,13-14,23H,4-5,7,9,11H2.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone has a molecular weight of 392.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 119639378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).