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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 81036499
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 43428254
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 63899165
2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 56879008
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
6-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
CID 61227101
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730858

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).