2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C14H19N3O2 — CID 106102343

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2(O)CCOC2C)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-10(2)17-13(12(9)7-15)16-8-14(18)4-5-19-11(14)3/h6,11,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyNCMOPZDYVKKCIU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds3

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 106102343) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID106102343
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2(O)CCOC2C)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-10(2)17-13(12(9)7-15)16-8-14(18)4-5-19-11(14)3/h6,11,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyNCMOPZDYVKKCIU-UHFFFAOYSA-N
XLogP1.52
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 106102239
2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103354121
3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 106099685
1-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311074
2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 104705673
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102448
2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103450
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
CID 107269634
3-[[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103575
3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103523

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 106102343) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC2(O)CCOC2C)n1.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is NCMOPZDYVKKCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-10(2)17-13(12(9)7-15)16-8-14(18)4-5-19-11(14)3/h6,11,18H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 106102343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).