4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane

C19H21Cl2N3 — CID 69316734

IUPAC4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
SMILESClc1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)c(Cl)c1
InChIInChI=1S/C19H21Cl2N3/c20-15-3-4-18(19(21)11-15)14-10-17(13-22-12-14)24-9-8-23-6-1-2-16(24)5-7-23/h3-4,10-13,16H,1-2,5-9H2
InChIKeyJWLYIHFOXTXJLT-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.73
Rot. Bonds2

About 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane

4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane (PubChem CID 69316734) has the molecular formula C19H21Cl2N3 and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
PubChem CID69316734
Molecular FormulaC19H21Cl2N3
Molecular Weight362.30 g/mol
Exact Mass361.11
IUPAC Name4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
SMILESClc1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)c(Cl)c1
InChIInChI=1S/C19H21Cl2N3/c20-15-3-4-18(19(21)11-15)14-10-17(13-22-12-14)24-9-8-23-6-1-2-16(24)5-7-23/h3-4,10-13,16H,1-2,5-9H2
InChIKeyJWLYIHFOXTXJLT-UHFFFAOYSA-N
XLogP4.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69314160
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69315262
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69316633
4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314970
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
CID 69314982
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314249
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69319605
4-[5-(4-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.1.1]heptane
CID 10445577
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320293
2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 10040739
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The IUPAC name of 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane (CID 69316734) is 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The canonical SMILES for 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane is Clc1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)c(Cl)c1.
What is the InChIKey of 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
The InChIKey is JWLYIHFOXTXJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3/c20-15-3-4-18(19(21)11-15)14-10-17(13-22-12-14)24-9-8-23-6-1-2-16(24)5-7-23/h3-4,10-13,16H,1-2,5-9H2.
What are the key properties of 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane?
4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane has a molecular weight of 362.30 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 69316734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).