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

C15H15BrN2O2 — CID 66284629

IUPACmethyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(C)c2cccc(Br)c2)ccn1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-4-3-5-12(16)8-11)18-13-6-7-17-14(9-13)15(19)20-2/h3-10H,1-2H3,(H,17,18)
InChIKeyPBLTYPONTAONLD-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.80
Rot. Bonds4

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

methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate (PubChem CID 66284629) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate
PubChem CID66284629
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Namemethyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(C)c2cccc(Br)c2)ccn1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-4-3-5-12(16)8-11)18-13-6-7-17-14(9-13)15(19)20-2/h3-10H,1-2H3,(H,17,18)
InChIKeyPBLTYPONTAONLD-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

N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62179810
methyl 5-[1-(3-bromophenyl)ethylamino]-2-fluorobenzoate
CID 43715457
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
ethyl 3-[1-(3-bromophenyl)ethylamino]benzoate
CID 43321950
methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 66287461
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 106282841
4-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]pyridine-2-carboxamide
CID 124574045
4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 133270581
4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
CID 66286519
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate (CID 66284629) is methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate is COC(=O)c1cc(NC(C)c2cccc(Br)c2)ccn1.
What is the InChIKey of methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate?
The InChIKey is PBLTYPONTAONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(11-4-3-5-12(16)8-11)18-13-6-7-17-14(9-13)15(19)20-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate?
methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-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 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66284629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).