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

C17H19N3O — CID 115494851

IUPAC4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNC(C)Cc1ccc(OCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C17H19N3O/c1-13(19-2)9-14-3-5-17(6-4-14)21-12-15-7-8-20-16(10-15)11-18/h3-8,10,13,19H,9,12H2,1-2H3
InChIKeyUCDUNEFGFKNZLK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.68
Rot. Bonds6

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

4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 115494851) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID115494851
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNC(C)Cc1ccc(OCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C17H19N3O/c1-13(19-2)9-14-3-5-17(6-4-14)21-12-15-7-8-20-16(10-15)11-18/h3-8,10,13,19H,9,12H2,1-2H3
InChIKeyUCDUNEFGFKNZLK-UHFFFAOYSA-N
XLogP2.68
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102880495
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888650
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 115494851) is 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile is CNC(C)Cc1ccc(OCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is UCDUNEFGFKNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(19-2)9-14-3-5-17(6-4-14)21-12-15-7-8-20-16(10-15)11-18/h3-8,10,13,19H,9,12H2,1-2H3.
What are the key properties of 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile?
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115494851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).