5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine

C16H20ClN3 — CID 62294767

IUPAC5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine
SMILESCCN(c1ccc(C)cc1)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C16H20ClN3/c1-4-20(13-7-5-12(2)6-8-13)16-10-9-14(17)15(19-16)11-18-3/h5-10,18H,4,11H2,1-3H3
InChIKeyXKSULNICZCBPBL-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.92
Rot. Bonds5

About 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine

5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine (PubChem CID 62294767) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine
PubChem CID62294767
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine
SMILESCCN(c1ccc(C)cc1)c1ccc(Cl)c(CNC)n1
InChIInChI=1S/C16H20ClN3/c1-4-20(13-7-5-12(2)6-8-13)16-10-9-14(17)15(19-16)11-18-3/h5-10,18H,4,11H2,1-3H3
InChIKeyXKSULNICZCBPBL-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine (CID 62294767) is 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine is CCN(c1ccc(C)cc1)c1ccc(Cl)c(CNC)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine?
The InChIKey is XKSULNICZCBPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-20(13-7-5-12(2)6-8-13)16-10-9-14(17)15(19-16)11-18-3/h5-10,18H,4,11H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine?
5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.92, 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-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 62294767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).