2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile

C16H16ClN3O — CID 133311512

IUPAC2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
SMILESCOC(c1ccc(Cl)cc1)C(C)Nc1ncccc1C#N
InChIInChI=1S/C16H16ClN3O/c1-11(20-16-13(10-18)4-3-9-19-16)15(21-2)12-5-7-14(17)8-6-12/h3-9,11,15H,1-2H3,(H,19,20)
InChIKeyGPBSEXXLEZUAGG-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.79
Rot. Bonds5

About 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile

2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 133311512) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID133311512
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
SMILESCOC(c1ccc(Cl)cc1)C(C)Nc1ncccc1C#N
InChIInChI=1S/C16H16ClN3O/c1-11(20-16-13(10-18)4-3-9-19-16)15(21-2)12-5-7-14(17)8-6-12/h3-9,11,15H,1-2H3,(H,19,20)
InChIKeyGPBSEXXLEZUAGG-UHFFFAOYSA-N
XLogP3.79
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 94800663
2-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099693
2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
CID 133398629
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine
CID 133311560
4-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133311570
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile (CID 133311512) is 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile is COC(c1ccc(Cl)cc1)C(C)Nc1ncccc1C#N.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is GPBSEXXLEZUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-11(20-16-13(10-18)4-3-9-19-16)15(21-2)12-5-7-14(17)8-6-12/h3-9,11,15H,1-2H3,(H,19,20).
What are the key properties of 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile?
2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 301.78 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133311512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).