methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate

C15H15BrN2O2 — CID 60722191

IUPACmethyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-5-7-12(16)8-6-11)18-14-13(15(19)20-2)4-3-9-17-14/h3-10H,1-2H3,(H,17,18)
InChIKeyODTPJJLBTLBKNA-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate

methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate (PubChem CID 60722191) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
PubChem CID60722191
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Namemethyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-5-7-12(16)8-6-11)18-14-13(15(19)20-2)4-3-9-17-14/h3-10H,1-2H3,(H,17,18)
InChIKeyODTPJJLBTLBKNA-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate
CID 22603043
methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
CID 122455034
methyl 2-[1-(4-bromophenyl)ethylamino]-5-chlorobenzoate
CID 43678801
3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine
CID 113228949

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate (CID 60722191) is methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC(C)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate?
The InChIKey is ODTPJJLBTLBKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(11-5-7-12(16)8-6-11)18-14-13(15(19)20-2)4-3-9-17-14/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate?
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate has a molecular weight of 335.20 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 60722191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).