3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine

C14H14Cl3N3 — CID 102751537

IUPAC3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCCN(Cc1cccc(C)n1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl3N3/c1-3-20(8-10-6-4-5-9(2)18-10)14-12(16)7-11(15)13(17)19-14/h4-7H,3,8H2,1-2H3
InChIKeyWEDFPSVZRDSBFT-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.77
Rot. Bonds4

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

3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine (PubChem CID 102751537) has the molecular formula C14H14Cl3N3 and a molecular weight of 330.65 g/mol. Its IUPAC name is 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
PubChem CID102751537
Molecular FormulaC14H14Cl3N3
Molecular Weight330.65 g/mol
Exact Mass329.03
IUPAC Name3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCCN(Cc1cccc(C)n1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl3N3/c1-3-20(8-10-6-4-5-9(2)18-10)14-12(16)7-11(15)13(17)19-14/h4-7H,3,8H2,1-2H3
InChIKeyWEDFPSVZRDSBFT-UHFFFAOYSA-N
XLogP4.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
N-ethyl-6-hydrazinyl-2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80929470
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
CID 80517126
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851697
4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80851849
5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958149
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868
(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
CID 83131657
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine (CID 102751537) is 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine is CCN(Cc1cccc(C)n1)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is WEDFPSVZRDSBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3/c1-3-20(8-10-6-4-5-9(2)18-10)14-12(16)7-11(15)13(17)19-14/h4-7H,3,8H2,1-2H3.
What are the key properties of 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 330.65 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 102751537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).