3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile

C14H13N3O — CID 62894480

IUPAC3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNc1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C14H13N3O/c1-16-12-4-6-13(7-5-12)18-10-11-3-2-8-17-14(11)9-15/h2-8,16H,10H2,1H3
InChIKeyISGGUGAZAMPOTR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.57
Rot. Bonds4

About 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile

3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 62894480) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID62894480
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNc1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C14H13N3O/c1-16-12-4-6-13(7-5-12)18-10-11-3-2-8-17-14(11)9-15/h2-8,16H,10H2,1H3
InChIKeyISGGUGAZAMPOTR-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894107
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]pyridine-2-carbonitrile
CID 79799573
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920781
3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
CID 107683551
[4-[(2-cyano-3-pyridinyl)methoxy]-2-fluorophenyl]boronic acid
CID 65203522

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile (CID 62894480) is 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile is CNc1ccc(OCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is ISGGUGAZAMPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-12-4-6-13(7-5-12)18-10-11-3-2-8-17-14(11)9-15/h2-8,16H,10H2,1H3.
What are the key properties of 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile?
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).