methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate

C20H29BrN2O2 — CID 148571308

IUPACmethyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C20H29BrN2O2/c1-25-20(24)18-12-16(21)13-22-19(18)23-17-9-7-15(8-10-17)11-14-5-3-2-4-6-14/h12-15,17H,2-11H2,1H3,(H,22,23)
InChIKeyMWXWFHHSJKSDDP-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.57
Rot. Bonds5

About methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate

methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate (PubChem CID 148571308) has the molecular formula C20H29BrN2O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate
PubChem CID148571308
Molecular FormulaC20H29BrN2O2
Molecular Weight409.37 g/mol
Exact Mass408.14
IUPAC Namemethyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C20H29BrN2O2/c1-25-20(24)18-12-16(21)13-22-19(18)23-17-9-7-15(8-10-17)11-14-5-3-2-4-6-14/h12-15,17H,2-11H2,1H3,(H,22,23)
InChIKeyMWXWFHHSJKSDDP-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-bromo-2-[[3-(cyclohexylamino)-4,4-dimethylpentyl]amino]pyridine-3-carboxylate
CID 144576044
tert-butyl 3-[5-bromo-2-(cyclopropylamino)-3-pyridinyl]-3-oxopropanoate
CID 175556350
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
methyl 3,5-dibromo-2-(cyclooctylamino)benzoate
CID 63451936
methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate
CID 176578760
methyl 2-[[3-[acetyl(cyclohexyl)amino]-4-acetyloxypentyl]amino]-5-bromopyridine-3-carboxylate
CID 139324379
methyl 5-bromo-3-(cyclopentylamino)-2-methylbenzoate
CID 70872494
5-bromo-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 63537993
methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
5-bromo-N-cyclohexyl-3-fluoropyridin-2-amine
CID 104923658
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate (CID 148571308) is methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1NC1CCC(CC2CCCCC2)CC1.
What is the InChIKey of methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate?
The InChIKey is MWXWFHHSJKSDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O2/c1-25-20(24)18-12-16(21)13-22-19(18)23-17-9-7-15(8-10-17)11-14-5-3-2-4-6-14/h12-15,17H,2-11H2,1H3,(H,22,23).
What are the key properties of methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate?
methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate has a molecular weight of 409.37 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[[4-(cyclohexylmethyl)cyclohexyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 148571308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).