6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile

C10H13N3 — CID 24708781

IUPAC6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C10H13N3/c1-8(2)13(3)10-5-4-9(6-11)7-12-10/h4-5,7-8H,1-3H3
InChIKeyIEQBHSLXHXODAQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.80
Rot. Bonds2

About 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile

6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 24708781) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID24708781
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C10H13N3/c1-8(2)13(3)10-5-4-9(6-11)7-12-10/h4-5,7-8H,1-3H3
InChIKeyIEQBHSLXHXODAQ-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 6-[methyl(propan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile (CID 24708781) is 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile is CC(C)N(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is IEQBHSLXHXODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)13(3)10-5-4-9(6-11)7-12-10/h4-5,7-8H,1-3H3.
What are the key properties of 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile?
6-[methyl(propan-2-yl)amino]pyridine-3-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 6-[methyl(propan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24708781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).