3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile

C13H20N4 — CID 103468015

IUPAC3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(C)N(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C13H20N4/c1-9(2)7-10(3)17(4)13-6-5-11(15)12(8-14)16-13/h5-6,9-10H,7,15H2,1-4H3
InChIKeyBLLWLVBWFNWYCG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile

3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 103468015) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID103468015
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(C)N(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C13H20N4/c1-9(2)7-10(3)17(4)13-6-5-11(15)12(8-14)16-13/h5-6,9-10H,7,15H2,1-4H3
InChIKeyBLLWLVBWFNWYCG-UHFFFAOYSA-N
XLogP2.41
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
CID 103467619
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
CID 55028427
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
CID 103468460
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]acetamide
CID 103467544
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 103467827
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103467785

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile (CID 103468015) is 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile is CC(C)CC(C)N(C)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is BLLWLVBWFNWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)7-10(3)17(4)13-6-5-11(15)12(8-14)16-13/h5-6,9-10H,7,15H2,1-4H3.
What are the key properties of 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).