4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile

C19H20N4 — CID 68874604

IUPAC4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile
SMILESCN1CC2CC1CN(c1cncc(-c3ccc(C#N)cc3)c1)C2
InChIInChI=1S/C19H20N4/c1-22-11-15-6-19(22)13-23(12-15)18-7-17(9-21-10-18)16-4-2-14(8-20)3-5-16/h2-5,7,9-10,15,19H,6,11-13H2,1H3
InChIKeyHMEHNMFVKZAULY-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.76
Rot. Bonds2

About 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile

4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile (PubChem CID 68874604) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile
PubChem CID68874604
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile
SMILESCN1CC2CC1CN(c1cncc(-c3ccc(C#N)cc3)c1)C2
InChIInChI=1S/C19H20N4/c1-22-11-15-6-19(22)13-23(12-15)18-7-17(9-21-10-18)16-4-2-14(8-20)3-5-16/h2-5,7,9-10,15,19H,6,11-13H2,1H3
InChIKeyHMEHNMFVKZAULY-UHFFFAOYSA-N
XLogP2.76
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 146514101
4-[5-(4-methylphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.1.1]heptane
CID 10445577
5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
CID 121385664
4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile
CID 163534777
4-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile
CID 142422555
5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68917956
3-(5-iodo-3-pyridinyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 24752282
5-(3-chlorophenyl)pyridine-3-carbonitrile
CID 71303498
5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146542668
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
CID 171512494
2-[4-[3,5-bis[4-(5-cyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-4-carbonitrile
CID 126542641

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile (CID 68874604) is 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile is CN1CC2CC1CN(c1cncc(-c3ccc(C#N)cc3)c1)C2.
What is the InChIKey of 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile?
The InChIKey is HMEHNMFVKZAULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-11-15-6-19(22)13-23(12-15)18-7-17(9-21-10-18)16-4-2-14(8-20)3-5-16/h2-5,7,9-10,15,19H,6,11-13H2,1H3.
What are the key properties of 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile?
4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile has a molecular weight of 304.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methyl-3,6-diazabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 68874604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).