5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine

C17H22ClN3 — CID 63501225

IUPAC5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C17H22ClN3/c1-5-19-17-7-6-15(18)16(20-17)11-21(4)14-9-12(2)8-13(3)10-14/h6-10H,5,11H2,1-4H3,(H,19,20)
InChIKeyYQGDRYLVBNHIJG-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.42
Rot. Bonds5

About 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine (PubChem CID 63501225) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine
PubChem CID63501225
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C17H22ClN3/c1-5-19-17-7-6-15(18)16(20-17)11-21(4)14-9-12(2)8-13(3)10-14/h6-10H,5,11H2,1-4H3,(H,19,20)
InChIKeyYQGDRYLVBNHIJG-UHFFFAOYSA-N
XLogP4.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 55127729
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62890809
5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013
5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62891537
2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
CID 62891160
5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 63484955
5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62891685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine (CID 63501225) is 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine is CCNc1ccc(Cl)c(CN(C)c2cc(C)cc(C)c2)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine?
The InChIKey is YQGDRYLVBNHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-5-19-17-7-6-15(18)16(20-17)11-21(4)14-9-12(2)8-13(3)10-14/h6-10H,5,11H2,1-4H3,(H,19,20).
What are the key properties of 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 63501225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).