2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile

C16H17N3O — CID 131894195

IUPAC2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCc2cccc(CO)c2)nc1C
InChIInChI=1S/C16H17N3O/c1-11-6-15(8-17)16(19-12(11)2)18-9-13-4-3-5-14(7-13)10-20/h3-7,20H,9-10H2,1-2H3,(H,18,19)
InChIKeyPSXNZDUJZVLJJE-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.67
Rot. Bonds4

About 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile

2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 131894195) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
PubChem CID131894195
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCc2cccc(CO)c2)nc1C
InChIInChI=1S/C16H17N3O/c1-11-6-15(8-17)16(19-12(11)2)18-9-13-4-3-5-14(7-13)10-20/h3-7,20H,9-10H2,1-2H3,(H,18,19)
InChIKeyPSXNZDUJZVLJJE-UHFFFAOYSA-N
XLogP2.67
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
2-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 55204093
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 122571608
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 107232132
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile (CID 131894195) is 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile is Cc1cc(C#N)c(NCc2cccc(CO)c2)nc1C.
What is the InChIKey of 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PSXNZDUJZVLJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-6-15(8-17)16(19-12(11)2)18-9-13-4-3-5-14(7-13)10-20/h3-7,20H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 131894195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).