4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile

C16H24N4 — CID 106618773

IUPAC4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(CC2CCCN2)C(C)C)n1
InChIInChI=1S/C16H24N4/c1-11(2)20(10-14-6-5-7-18-14)16-15(9-17)12(3)8-13(4)19-16/h8,11,14,18H,5-7,10H2,1-4H3
InChIKeyWWTHUQCNRGPXLP-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.54
Rot. Bonds4

About 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile

4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 106618773) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID106618773
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(CC2CCCN2)C(C)C)n1
InChIInChI=1S/C16H24N4/c1-11(2)20(10-14-6-5-7-18-14)16-15(9-17)12(3)8-13(4)19-16/h8,11,14,18H,5-7,10H2,1-4H3
InChIKeyWWTHUQCNRGPXLP-UHFFFAOYSA-N
XLogP2.54
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]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

3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
3-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 107111521
2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
6-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106620667
1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
CID 106641435
2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 54978706
3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618965
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106641392
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 106618773) is 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N(CC2CCCN2)C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is WWTHUQCNRGPXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)20(10-14-6-5-7-18-14)16-15(9-17)12(3)8-13(4)19-16/h8,11,14,18H,5-7,10H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 106618773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).