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

C14H18Cl2N2O2 — CID 62027787

IUPACethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1c(Cl)cc(C)nc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-20-13(19)8-18(10-4-5-10)7-11-12(15)6-9(2)17-14(11)16/h6,10H,3-5,7-8H2,1-2H3
InChIKeyIDYASYIAXYKMPR-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.22
Rot. Bonds6

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

ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate (PubChem CID 62027787) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
PubChem CID62027787
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Nameethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1c(Cl)cc(C)nc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-20-13(19)8-18(10-4-5-10)7-11-12(15)6-9(2)17-14(11)16/h6,10H,3-5,7-8H2,1-2H3
InChIKeyIDYASYIAXYKMPR-UHFFFAOYSA-N
XLogP3.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 115536709
ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
CID 80656819
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705554
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
CID 55204387
ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
CID 60697552
ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
CID 62028143
ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate
CID 71852853
ethyl 2-[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]acetate
CID 62027413
ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate
CID 66152510
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate (CID 62027787) is ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate is CCOC(=O)CN(Cc1c(Cl)cc(C)nc1Cl)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
The InChIKey is IDYASYIAXYKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-20-13(19)8-18(10-4-5-10)7-11-12(15)6-9(2)17-14(11)16/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate?
ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate has a molecular weight of 317.22 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate is sourced from PubChem (CID 62027787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).