methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate

C16H15BrN2O3 — CID 47044898

IUPACmethyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC(C)c2ccccc2Br)n1
InChIInChI=1S/C16H15BrN2O3/c1-10(11-6-3-4-7-12(11)17)18-15(20)13-8-5-9-14(19-13)16(21)22-2/h3-10H,1-2H3,(H,18,20)
InChIKeyBNEQZSMSIGPFRK-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.12
Rot. Bonds4

About methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate

methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate (PubChem CID 47044898) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate
PubChem CID47044898
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Namemethyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC(C)c2ccccc2Br)n1
InChIInChI=1S/C16H15BrN2O3/c1-10(11-6-3-4-7-12(11)17)18-15(20)13-8-5-9-14(19-13)16(21)22-2/h3-10H,1-2H3,(H,18,20)
InChIKeyBNEQZSMSIGPFRK-UHFFFAOYSA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093772
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81396785
N-[1-(2-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47047800
methyl 6-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyridine-2-carboxylate
CID 49179087

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate (CID 47044898) is methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NC(C)c2ccccc2Br)n1.
What is the InChIKey of methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is BNEQZSMSIGPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10(11-6-3-4-7-12(11)17)18-15(20)13-8-5-9-14(19-13)16(21)22-2/h3-10H,1-2H3,(H,18,20).
What are the key properties of methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate?
methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 363.21 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 47044898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).