2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile

C13H17N3O — CID 61222214

IUPAC2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCCCO1)c1ncccc1C#N
InChIInChI=1S/C13H17N3O/c1-16(10-12-6-2-3-8-17-12)13-11(9-14)5-4-7-15-13/h4-5,7,12H,2-3,6,8,10H2,1H3
InChIKeyOYBFTUHFACSHMK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds3

About 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile

2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 61222214) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID61222214
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCCCO1)c1ncccc1C#N
InChIInChI=1S/C13H17N3O/c1-16(10-12-6-2-3-8-17-12)13-11(9-14)5-4-7-15-13/h4-5,7,12H,2-3,6,8,10H2,1H3
InChIKeyOYBFTUHFACSHMK-UHFFFAOYSA-N
XLogP1.96
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61431773
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61432324
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
2-bromo-3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 107533332
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 61222214) is 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile is CN(CC1CCCCO1)c1ncccc1C#N.
What is the InChIKey of 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is OYBFTUHFACSHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(10-12-6-2-3-8-17-12)13-11(9-14)5-4-7-15-13/h4-5,7,12H,2-3,6,8,10H2,1H3.
What are the key properties of 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile?
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 61222214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).