4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H26N4 — CID 81051803

IUPAC4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCCN(CC(C)(C)CN)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H26N4/c1-6-7-20(11-16(4,5)10-18)15-8-12(2)19-13(3)14(15)9-17/h8H,6-7,10-11,18H2,1-5H3
InChIKeyUQTYCXODPUSHCL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds6

About 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81051803) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81051803
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCCN(CC(C)(C)CN)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H26N4/c1-6-7-20(11-16(4,5)10-18)15-8-12(2)19-13(3)14(15)9-17/h8H,6-7,10-11,18H2,1-5H3
InChIKeyUQTYCXODPUSHCL-UHFFFAOYSA-N
XLogP2.77
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-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-[(3-amino-2,2-dimethylpropyl)-propylamino]-4-methylbenzonitrile
CID 79662187
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile
CID 79662117
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-bromobenzonitrile
CID 82808752
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060184
2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 81061241
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
CID 79662269
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)-prop-2-enylamino]acetic acid
CID 81060333
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
CID 79665644

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81051803) is 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile is CCCN(CC(C)(C)CN)c1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UQTYCXODPUSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-6-7-20(11-16(4,5)10-18)15-8-12(2)19-13(3)14(15)9-17/h8H,6-7,10-11,18H2,1-5H3.
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81051803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).