2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile

C13H16ClN3O — CID 83076998

IUPAC2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCN(CC1CCCOC1)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O/c1-17(8-10-3-2-4-18-9-10)13-6-11(7-15)5-12(14)16-13/h5-6,10H,2-4,8-9H2,1H3
InChIKeyXVUVMXQKLOGSNW-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile

2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 83076998) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID83076998
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCN(CC1CCCOC1)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O/c1-17(8-10-3-2-4-18-9-10)13-6-11(7-15)5-12(14)16-13/h5-6,10H,2-4,8-9H2,1H3
InChIKeyXVUVMXQKLOGSNW-UHFFFAOYSA-N
XLogP2.47
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[methyl(oxan-3-ylmethyl)amino]benzonitrile
CID 55226842
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 63707725
[3-chloro-6-[methyl(oxan-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 63713496
2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
CID 83073662
2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83074339
3-amino-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 82812956
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80943022
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 114851430
1-[3-chloro-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 55226624
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63708108
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 78948262

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile (CID 83076998) is 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile is CN(CC1CCCOC1)c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is XVUVMXQKLOGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17(8-10-3-2-4-18-9-10)13-6-11(7-15)5-12(14)16-13/h5-6,10H,2-4,8-9H2,1H3.
What are the key properties of 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 265.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).