3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile

C12H14ClN3 — CID 133417849

IUPAC3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)n1)C1CCC1
InChIInChI=1S/C12H14ClN3/c1-8(9-3-2-4-9)15-12-6-5-10(13)11(7-14)16-12/h5-6,8-9H,2-4H2,1H3,(H,15,16)
InChIKeySQPJZDNKFBGGNW-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile

3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile (PubChem CID 133417849) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
PubChem CID133417849
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)n1)C1CCC1
InChIInChI=1S/C12H14ClN3/c1-8(9-3-2-4-9)15-12-6-5-10(13)11(7-14)16-12/h5-6,8-9H,2-4H2,1H3,(H,15,16)
InChIKeySQPJZDNKFBGGNW-UHFFFAOYSA-N
XLogP3.21
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 115766717
3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile
CID 130638110
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
CID 133495324
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
CID 84589069
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
CID 115766655
3-nitro-6-[1-(oxolan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103472104
5-chloro-N-(1-cyclohexylethyl)pyridin-2-amine
CID 62406315
6-chloro-N-(1-cyclopropylethyl)pyridazin-3-amine
CID 43401136

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile (CID 133417849) is 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile is CC(Nc1ccc(Cl)c(C#N)n1)C1CCC1.
What is the InChIKey of 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
The InChIKey is SQPJZDNKFBGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(9-3-2-4-9)15-12-6-5-10(13)11(7-14)16-12/h5-6,8-9H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile?
3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 133417849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).