4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane

C19H23N3 — CID 69314970

IUPAC4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
SMILESCc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1
InChIInChI=1S/C19H23N3/c1-15-5-2-3-7-19(15)16-11-18(13-20-12-16)22-10-9-21-8-4-6-17(22)14-21/h2-3,5,7,11-13,17H,4,6,8-10,14H2,1H3
InChIKeyWVIRFUXCBFMHBB-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.34
Rot. Bonds2

About 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane

4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane (PubChem CID 69314970) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
PubChem CID69314970
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
SMILESCc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1
InChIInChI=1S/C19H23N3/c1-15-5-2-3-7-19(15)16-11-18(13-20-12-16)22-10-9-21-8-4-6-17(22)14-21/h2-3,5,7,11-13,17H,4,6,8-10,14H2,1H3
InChIKeyWVIRFUXCBFMHBB-UHFFFAOYSA-N
XLogP3.34
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane
CID 69314249
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
CID 69314982
4-[5-(2-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69315262
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69314160
4-[5-(2,4-dichlorophenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69316734
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320293
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.2]decane
CID 69316633
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
3-(1,4-diazabicyclo[3.3.1]nonan-4-yl)-2-iodoquinoline
CID 87961035
1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825074
1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
CID 142847935
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69319605

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
The IUPAC name of 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane (CID 69314970) is 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane is Cc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1.
What is the InChIKey of 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
The InChIKey is WVIRFUXCBFMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-15-5-2-3-7-19(15)16-11-18(13-20-12-16)22-10-9-21-8-4-6-17(22)14-21/h2-3,5,7,11-13,17H,4,6,8-10,14H2,1H3.
What are the key properties of 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane?
4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane has a molecular weight of 293.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 69314970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).