methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate

C15H20Cl2N2O2 — CID 115536709

IUPACmethyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1c(Cl)cc(C)nc1Cl)C1CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10-7-13(16)12(15(17)18-10)8-19(9-14(20)21-2)11-5-3-4-6-11/h7,11H,3-6,8-9H2,1-2H3
InChIKeyPRPWSFHWHHWWRJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.61
Rot. Bonds5

About methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate (PubChem CID 115536709) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
PubChem CID115536709
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Namemethyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1c(Cl)cc(C)nc1Cl)C1CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10-7-13(16)12(15(17)18-10)8-19(9-14(20)21-2)11-5-3-4-6-11/h7,11H,3-6,8-9H2,1-2H3
InChIKeyPRPWSFHWHHWWRJ-UHFFFAOYSA-N
XLogP3.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 62027787
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705554
methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate
CID 80709366
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
CID 115536867
methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
CID 103887261
methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 80709119
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
CID 55204387
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
CID 71917612
ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
CID 80656819
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[cyclopentyl-[(3-methylimidazol-4-yl)methyl]amino]acetate
CID 80709036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate (CID 115536709) is methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate is COC(=O)CN(Cc1c(Cl)cc(C)nc1Cl)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
The InChIKey is PRPWSFHWHHWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10-7-13(16)12(15(17)18-10)8-19(9-14(20)21-2)11-5-3-4-6-11/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate has a molecular weight of 331.24 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate is sourced from PubChem (CID 115536709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).