2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile

C20H23N3O2 — CID 133398629

IUPAC2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(23-20-17(14-21)8-5-11-22-20)19(16-6-3-2-4-7-16)25-18-9-12-24-13-10-18/h2-8,11,15,18-19H,9-10,12-13H2,1H3,(H,22,23)
InChIKeyKDMRQJTYXWZGDQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.69
Rot. Bonds6

About 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile

2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 133398629) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID133398629
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(23-20-17(14-21)8-5-11-22-20)19(16-6-3-2-4-7-16)25-18-9-12-24-13-10-18/h2-8,11,15,18-19H,9-10,12-13H2,1H3,(H,22,23)
InChIKeyKDMRQJTYXWZGDQ-UHFFFAOYSA-N
XLogP3.69
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
CID 146107464
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
CID 133398627
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
CID 133398414
2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 133311512
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133398549
5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122048985
5-nitro-2-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 133398475
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
4-fluoro-2-nitro-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]aniline
CID 133398628
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile (CID 133398629) is 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile is CC(Nc1ncccc1C#N)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is KDMRQJTYXWZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(23-20-17(14-21)8-5-11-22-20)19(16-6-3-2-4-7-16)25-18-9-12-24-13-10-18/h2-8,11,15,18-19H,9-10,12-13H2,1H3,(H,22,23).
What are the key properties of 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile?
2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133398629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).