5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile

C10H13N3 — CID 115487439

IUPAC5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)N(C)c1ccc(C#N)nc1
InChIInChI=1S/C10H13N3/c1-8(2)13(3)10-5-4-9(6-11)12-7-10/h4-5,7-8H,1-3H3
InChIKeyIJMHALBBXOPDGR-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.80
Rot. Bonds2

About 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile

5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 115487439) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID115487439
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)N(C)c1ccc(C#N)nc1
InChIInChI=1S/C10H13N3/c1-8(2)13(3)10-5-4-9(6-11)12-7-10/h4-5,7-8H,1-3H3
InChIKeyIJMHALBBXOPDGR-UHFFFAOYSA-N
XLogP1.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[methyl(propan-2-yl)amino]pyridine-2-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

5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 113320538
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
5-(N,3,5-trimethylanilino)pyridine-2-carbonitrile
CID 115487645
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
4-[methyl(propan-2-yl)amino]benzene-1,2-dicarbonitrile
CID 11528530
5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
CID 118301745
5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
CID 133334959

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile (CID 115487439) is 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile is CC(C)N(C)c1ccc(C#N)nc1.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is IJMHALBBXOPDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)13(3)10-5-4-9(6-11)12-7-10/h4-5,7-8H,1-3H3.
What are the key properties of 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).