6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine

C16H20Cl2N4O2 — CID 101398050

IUPAC6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
SMILESClc1cccc(NCCOCCOCCNc2cccc(Cl)n2)n1
InChIInChI=1S/C16H20Cl2N4O2/c17-13-3-1-5-15(21-13)19-7-9-23-11-12-24-10-8-20-16-6-2-4-14(18)22-16/h1-6H,7-12H2,(H,19,21)(H,20,22)
InChIKeyWVWBRPTZQCXGBR-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.34
Rot. Bonds11

About 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine

6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine (PubChem CID 101398050) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
PubChem CID101398050
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
SMILESClc1cccc(NCCOCCOCCNc2cccc(Cl)n2)n1
InChIInChI=1S/C16H20Cl2N4O2/c17-13-3-1-5-15(21-13)19-7-9-23-11-12-24-10-8-20-16-6-2-4-14(18)22-16/h1-6H,7-12H2,(H,19,21)(H,20,22)
InChIKeyWVWBRPTZQCXGBR-UHFFFAOYSA-N
XLogP3.34
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride
CID 3024498
6-(Morpholin-4-yl)pyridin-2-amine
CID 18771860
1-[(5-Chloro-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 75384900
4-chloro-N-(5-chloropyridin-2-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 691493
4-(6-Chloropyridin-2-YL)morpholine
CID 15534824
4-(5-Chloro-6-fluoropyridin-2-yl)morpholine
CID 57475657
1-N-(2-chloro-6-morpholin-4-ylpyridin-4-yl)-4-N-(trifluoromethyl)benzene-1,4-diamine
CID 143206320
4-(6-Chloro-3-fluoro-2-pyridinyl)morpholine
CID 153954994
3-[[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol;3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 160518769
4-(6-Chloro-4-fluoro-2-pyridinyl)morpholine
CID 173582029
6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63834253
6-chloro-N-(3-morpholin-4-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715471

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine (CID 101398050) is 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine is Clc1cccc(NCCOCCOCCNc2cccc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine?
The InChIKey is WVWBRPTZQCXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2/c17-13-3-1-5-15(21-13)19-7-9-23-11-12-24-10-8-20-16-6-2-4-14(18)22-16/h1-6H,7-12H2,(H,19,21)(H,20,22).
What are the key properties of 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine?
6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine has a molecular weight of 371.27 g/mol, XLogP of 3.34, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 101398050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).