4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

C13H14ClN3 — CID 105067321

IUPAC4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCN(Cc1ccncc1)c1cnccc1CCl
InChIInChI=1S/C13H14ClN3/c1-17(10-11-2-5-15-6-3-11)13-9-16-7-4-12(13)8-14/h2-7,9H,8,10H2,1H3
InChIKeyOISFGLCIJGNWNY-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.85
Rot. Bonds4

About 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (PubChem CID 105067321) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
PubChem CID105067321
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCN(Cc1ccncc1)c1cnccc1CCl
InChIInChI=1S/C13H14ClN3/c1-17(10-11-2-5-15-6-3-11)13-9-16-7-4-12(13)8-14/h2-7,9H,8,10H2,1H3
InChIKeyOISFGLCIJGNWNY-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 105067467
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 105073101
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
[2-chloro-6-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 43564416
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (CID 105067321) is 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is CN(Cc1ccncc1)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The InChIKey is OISFGLCIJGNWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(10-11-2-5-15-6-3-11)13-9-16-7-4-12(13)8-14/h2-7,9H,8,10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine has a molecular weight of 247.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105067321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).