5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile

C11H12N4 — CID 115487373

IUPAC5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
SMILESCC(C#N)CN(C)c1ccc(C#N)nc1
InChIInChI=1S/C11H12N4/c1-9(5-12)8-15(2)11-4-3-10(6-13)14-7-11/h3-4,7,9H,8H2,1-2H3
InChIKeyZHKAVJWFZIPMMY-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.55
Rot. Bonds3

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

5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 115487373) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
PubChem CID115487373
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
SMILESCC(C#N)CN(C)c1ccc(C#N)nc1
InChIInChI=1S/C11H12N4/c1-9(5-12)8-15(2)11-4-3-10(6-13)14-7-11/h3-4,7,9H,8H2,1-2H3
InChIKeyZHKAVJWFZIPMMY-UHFFFAOYSA-N
XLogP1.55
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
3-[4-(dimethylamino)-N-methylanilino]-2-methylpropanenitrile
CID 82113965
2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122014
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 115487439
3-(3,4-dichloro-N-methylanilino)-2-methylpropanenitrile
CID 82117804
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile
CID 99857839
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
2-chloro-4-[2-cyanopropyl(methyl)amino]benzonitrile
CID 62944337
3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 115749937
3-[(5-chloropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 79557173
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile (CID 115487373) is 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile is CC(C#N)CN(C)c1ccc(C#N)nc1.
What is the InChIKey of 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is ZHKAVJWFZIPMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-9(5-12)8-15(2)11-4-3-10(6-13)14-7-11/h3-4,7,9H,8H2,1-2H3.
What are the key properties of 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile?
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 200.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).