3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile

C16H17N3O — CID 63367788

IUPAC3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC[C@H](N)c1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C16H17N3O/c1-2-15(18)12-5-7-14(8-6-12)20-11-13-4-3-9-19-16(13)10-17/h3-9,15H,2,11,18H2,1H3/t15-/m0/s1
InChIKeyKAFCVDJCHXVFIV-HNNXBMFYSA-N
MW267.33 g/mol
LogP2.94
Rot. Bonds5

About 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile

3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63367788) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63367788
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC[C@H](N)c1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C16H17N3O/c1-2-15(18)12-5-7-14(8-6-12)20-11-13-4-3-9-19-16(13)10-17/h3-9,15H,2,11,18H2,1H3/t15-/m0/s1
InChIKeyKAFCVDJCHXVFIV-HNNXBMFYSA-N
XLogP2.94
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107114269
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[[4-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60878628
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920781
3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894107
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 163255226

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 63367788) is 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile is CC[C@H](N)c1ccc(OCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is KAFCVDJCHXVFIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-15(18)12-5-7-14(8-6-12)20-11-13-4-3-9-19-16(13)10-17/h3-9,15H,2,11,18H2,1H3/t15-/m0/s1.
What are the key properties of 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile?
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63367788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).