N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine

C20H24ClN3 — CID 167080766

IUPACN-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine
SMILESC=Cc1cnc(Cl)cc1Nc1cc(C)cc(C2(CC)CCCC2)n1
InChIInChI=1S/C20H24ClN3/c1-4-15-13-22-18(21)12-16(15)23-19-11-14(3)10-17(24-19)20(5-2)8-6-7-9-20/h4,10-13H,1,5-9H2,2-3H3,(H,22,23,24)
InChIKeyYIWPKKYOFGFEHV-UHFFFAOYSA-N
MW341.89 g/mol
LogP6.05
Rot. Bonds5

About N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine

N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine (PubChem CID 167080766) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine
PubChem CID167080766
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC NameN-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine
SMILESC=Cc1cnc(Cl)cc1Nc1cc(C)cc(C2(CC)CCCC2)n1
InChIInChI=1S/C20H24ClN3/c1-4-15-13-22-18(21)12-16(15)23-19-11-14(3)10-17(24-19)20(5-2)8-6-7-9-20/h4,10-13H,1,5-9H2,2-3H3,(H,22,23,24)
InChIKeyYIWPKKYOFGFEHV-UHFFFAOYSA-N
XLogP6.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.89
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine?
The IUPAC name of N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine (CID 167080766) is N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine.
What is the SMILES notation for N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine?
The canonical SMILES for N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine is C=Cc1cnc(Cl)cc1Nc1cc(C)cc(C2(CC)CCCC2)n1.
What is the InChIKey of N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine?
The InChIKey is YIWPKKYOFGFEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-4-15-13-22-18(21)12-16(15)23-19-11-14(3)10-17(24-19)20(5-2)8-6-7-9-20/h4,10-13H,1,5-9H2,2-3H3,(H,22,23,24).
What are the key properties of N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine?
N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine has a molecular weight of 341.89 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 167080766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).