3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile

C16H17N3O — CID 62895390

IUPAC3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
SMILESCOCc1ccccc1CNCc1cccnc1C#N
InChIInChI=1S/C16H17N3O/c1-20-12-15-6-3-2-5-13(15)10-18-11-14-7-4-8-19-16(14)9-17/h2-8,18H,10-12H2,1H3
InChIKeyPHQGFXKWLXGEAQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.39
Rot. Bonds6

About 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile

3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62895390) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62895390
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
SMILESCOCc1ccccc1CNCc1cccnc1C#N
InChIInChI=1S/C16H17N3O/c1-20-12-15-6-3-2-5-13(15)10-18-11-14-7-4-8-19-16(14)9-17/h2-8,18H,10-12H2,1H3
InChIKeyPHQGFXKWLXGEAQ-UHFFFAOYSA-N
XLogP2.39
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857
3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
CID 62895073
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
3-chloro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 102664142
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
3-[(3-methylbut-2-enylamino)methyl]pyridine-2-carbonitrile
CID 106188268
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
CID 62683507

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile (CID 62895390) is 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile is COCc1ccccc1CNCc1cccnc1C#N.
What is the InChIKey of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is PHQGFXKWLXGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-12-15-6-3-2-5-13(15)10-18-11-14-7-4-8-19-16(14)9-17/h2-8,18H,10-12H2,1H3.
What are the key properties of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile?
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).