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

C12H18N4 — CID 103467619

IUPAC3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
SMILESCCC(CC)N(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4/c1-4-9(5-2)16(3)12-7-6-10(14)11(8-13)15-12/h6-7,9H,4-5,14H2,1-3H3
InChIKeyAMDJGEHCUYPSRF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.16
Rot. Bonds4

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

3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 103467619) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
PubChem CID103467619
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
SMILESCCC(CC)N(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4/c1-4-9(5-2)16(3)12-7-6-10(14)11(8-13)15-12/h6-7,9H,4-5,14H2,1-3H3
InChIKeyAMDJGEHCUYPSRF-UHFFFAOYSA-N
XLogP2.16
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103468015
6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine
CID 79828067
6-methoxy-2-N-methyl-2-N-pentan-3-ylpyridine-2,5-diamine
CID 43570932
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-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 103467827
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-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103467785
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile (CID 103467619) is 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile is CCC(CC)N(C)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is AMDJGEHCUYPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-9(5-2)16(3)12-7-6-10(14)11(8-13)15-12/h6-7,9H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.16, 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(pentan-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).