3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile

C15H15N3O — CID 62895073

IUPAC3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
SMILESCOCc1cccc(NCc2cccnc2C#N)c1
InChIInChI=1S/C15H15N3O/c1-19-11-12-4-2-6-14(8-12)18-10-13-5-3-7-17-15(13)9-16/h2-8,18H,10-11H2,1H3
InChIKeyMMMLDBLJZSPTGW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.71
Rot. Bonds5

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

3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile (PubChem CID 62895073) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
PubChem CID62895073
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
SMILESCOCc1cccc(NCc2cccnc2C#N)c1
InChIInChI=1S/C15H15N3O/c1-19-11-12-4-2-6-14(8-12)18-10-13-5-3-7-17-15(13)9-16/h2-8,18H,10-11H2,1H3
InChIKeyMMMLDBLJZSPTGW-UHFFFAOYSA-N
XLogP2.71
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 55128348
2-fluoro-3-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 107114498
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-[(4-propan-2-ylanilino)methyl]pyridine-2-carbonitrile
CID 55127917
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43672051
3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 62893497
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
CID 54965543

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile (CID 62895073) is 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile is COCc1cccc(NCc2cccnc2C#N)c1.
What is the InChIKey of 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile?
The InChIKey is MMMLDBLJZSPTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-11-12-4-2-6-14(8-12)18-10-13-5-3-7-17-15(13)9-16/h2-8,18H,10-11H2,1H3.
What are the key properties of 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile?
3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).