ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate

C14H20BrN3O2 — CID 105366689

IUPACethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncc(C)cc2Br)CC1
InChIInChI=1S/C14H20BrN3O2/c1-3-20-14(19)18-6-4-11(5-7-18)17-13-12(15)8-10(2)9-16-13/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyWKDGHLFFUXAIBA-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.19
Rot. Bonds3

About ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 105366689) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID105366689
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Nameethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncc(C)cc2Br)CC1
InChIInChI=1S/C14H20BrN3O2/c1-3-20-14(19)18-6-4-11(5-7-18)17-13-12(15)8-10(2)9-16-13/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyWKDGHLFFUXAIBA-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103077884
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 105366689) is ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ncc(C)cc2Br)CC1.
What is the InChIKey of ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is WKDGHLFFUXAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-20-14(19)18-6-4-11(5-7-18)17-13-12(15)8-10(2)9-16-13/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 342.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 105366689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).