3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile

C11H11ClN4 — CID 107056611

IUPAC3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCC(CC#N)N(C)c1nccc(C#N)c1Cl
InChIInChI=1S/C11H11ClN4/c1-8(3-5-13)16(2)11-10(12)9(7-14)4-6-15-11/h4,6,8H,3H2,1-2H3
InChIKeyVYLFFBCYNJPONQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.35
Rot. Bonds3

About 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile

3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 107056611) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
PubChem CID107056611
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCC(CC#N)N(C)c1nccc(C#N)c1Cl
InChIInChI=1S/C11H11ClN4/c1-8(3-5-13)16(2)11-10(12)9(7-14)4-6-15-11/h4,6,8H,3H2,1-2H3
InChIKeyVYLFFBCYNJPONQ-UHFFFAOYSA-N
XLogP2.35
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile
CID 102986461
3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
CID 103385220
2-[1-cyanopropan-2-yl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 63228520
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
3-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 79073009
3-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanenitrile
CID 63228649
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile (CID 107056611) is 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile is CC(CC#N)N(C)c1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is VYLFFBCYNJPONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-8(3-5-13)16(2)11-10(12)9(7-14)4-6-15-11/h4,6,8H,3H2,1-2H3.
What are the key properties of 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 234.69 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).