2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile

C13H17N3O — CID 122571608

IUPAC2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCC2(CO)CC2)nc1C
InChIInChI=1S/C13H17N3O/c1-9-5-11(6-14)12(16-10(9)2)15-7-13(8-17)3-4-13/h5,17H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyHYFNMKSBZZOHQH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.75
Rot. Bonds4

About 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 122571608) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
PubChem CID122571608
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCC2(CO)CC2)nc1C
InChIInChI=1S/C13H17N3O/c1-9-5-11(6-14)12(16-10(9)2)15-7-13(8-17)3-4-13/h5,17H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyHYFNMKSBZZOHQH-UHFFFAOYSA-N
XLogP1.75
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
CID 131918603
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195
5-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzonitrile
CID 79479526
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5-methylbenzonitrile
CID 107927763
2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131922825
[1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]cyclopropyl]methanol
CID 114448681
4-bromo-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114902140
5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529
2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133399139

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile (CID 122571608) is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile is Cc1cc(C#N)c(NCC2(CO)CC2)nc1C.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HYFNMKSBZZOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-5-11(6-14)12(16-10(9)2)15-7-13(8-17)3-4-13/h5,17H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile?
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 122571608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).