4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile

C17H24N4 — CID 61012193

IUPAC4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C17H24N4/c1-11-6-12(2)20-17(16(11)9-18)19-10-13-7-14-4-5-15(8-13)21(14)3/h6,13-15H,4-5,7-8,10H2,1-3H3,(H,19,20)
InChIKeyCMKVYMKGSLMXRO-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.85
Rot. Bonds3

About 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile

4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 61012193) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
PubChem CID61012193
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C17H24N4/c1-11-6-12(2)20-17(16(11)9-18)19-10-13-7-14-4-5-15(8-13)21(14)3/h6,13-15H,4-5,7-8,10H2,1-3H3,(H,19,20)
InChIKeyCMKVYMKGSLMXRO-UHFFFAOYSA-N
XLogP2.85
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile (CID 61012193) is 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC2CC3CCC(C2)N3C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is CMKVYMKGSLMXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11-6-12(2)20-17(16(11)9-18)19-10-13-7-14-4-5-15(8-13)21(14)3/h6,13-15H,4-5,7-8,10H2,1-3H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 61012193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).