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

C12H18N4 — CID 82817290

IUPAC3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
SMILESCCC(CC)N(C)c1nccc(C#N)c1N
InChIInChI=1S/C12H18N4/c1-4-10(5-2)16(3)12-11(14)9(8-13)6-7-15-12/h6-7,10H,4-5,14H2,1-3H3
InChIKeyASOCDZOREHIXHV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.16
Rot. Bonds4

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

3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 82817290) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
PubChem CID82817290
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
SMILESCCC(CC)N(C)c1nccc(C#N)c1N
InChIInChI=1S/C12H18N4/c1-4-10(5-2)16(3)12-11(14)9(8-13)6-7-15-12/h6-7,10H,4-5,14H2,1-3H3
InChIKeyASOCDZOREHIXHV-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-2-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 82817461
3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile
CID 82817144
3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
CID 82816961
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
CID 82813472
2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
CID 82817459
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
CID 82817239
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile (CID 82817290) is 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile is CCC(CC)N(C)c1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is ASOCDZOREHIXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-10(5-2)16(3)12-11(14)9(8-13)6-7-15-12/h6-7,10H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile?
3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-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-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).