N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine

C19H18ClN3O — CID 68849847

IUPACN-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3cccc(CCl)c3)c2)c(C)n1
InChIInChI=1S/C19H18ClN3O/c1-13-6-7-18(14(2)22-13)24-17-8-9-21-19(11-17)23-16-5-3-4-15(10-16)12-20/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyJOQDUMIJZCCVTC-UHFFFAOYSA-N
MW339.83 g/mol
LogP5.37
Rot. Bonds5

About N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine

N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine (PubChem CID 68849847) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
PubChem CID68849847
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3cccc(CCl)c3)c2)c(C)n1
InChIInChI=1S/C19H18ClN3O/c1-13-6-7-18(14(2)22-13)24-17-8-9-21-19(11-17)23-16-5-3-4-15(10-16)12-20/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyJOQDUMIJZCCVTC-UHFFFAOYSA-N
XLogP5.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
3-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]-3-oxopropanamide
CID 68849766
3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one
CID 68944007
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
CID 68945631
3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 68939373
2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
CID 59543950
[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol
CID 68851106
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
CID 68941098
3-[3-[[4-[(6-ethyl-2,5-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]-2-(oxiran-2-yl)propanoic acid
CID 156787551
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
CID 68946406
N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
CID 65027661
N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine?
The IUPAC name of N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine (CID 68849847) is N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine is Cc1ccc(Oc2ccnc(Nc3cccc(CCl)c3)c2)c(C)n1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine?
The InChIKey is JOQDUMIJZCCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-6-7-18(14(2)22-13)24-17-8-9-21-19(11-17)23-16-5-3-4-15(10-16)12-20/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine?
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine has a molecular weight of 339.83 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine is sourced from PubChem (CID 68849847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).