4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile

C15H15N3O — CID 107660580

IUPAC4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
SMILESCNc1cccc(COc2cc(C#N)ccc2C)n1
InChIInChI=1S/C15H15N3O/c1-11-6-7-12(9-16)8-14(11)19-10-13-4-3-5-15(17-2)18-13/h3-8H,10H2,1-2H3,(H,17,18)
InChIKeyIPTJMAJPPPXUAP-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.88
Rot. Bonds4

About 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile

4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile (PubChem CID 107660580) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
PubChem CID107660580
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
SMILESCNc1cccc(COc2cc(C#N)ccc2C)n1
InChIInChI=1S/C15H15N3O/c1-11-6-7-12(9-16)8-14(11)19-10-13-4-3-5-15(17-2)18-13/h3-8H,10H2,1-2H3,(H,17,18)
InChIKeyIPTJMAJPPPXUAP-UHFFFAOYSA-N
XLogP2.88
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 79240035
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
6-[(2-chloro-5-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 79238943
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
6-[(2-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239369
6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239177
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082
3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
CID 79234453
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile (CID 107660580) is 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile is CNc1cccc(COc2cc(C#N)ccc2C)n1.
What is the InChIKey of 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
The InChIKey is IPTJMAJPPPXUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-6-7-12(9-16)8-14(11)19-10-13-4-3-5-15(17-2)18-13/h3-8H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 107660580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).